6MAK

HBO1 is required for the maintenance of leukaemia stem cells


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
1VAPOR DIFFUSION, SITTING DROP293Protein at 2.5 mg/mL was added in equal volume ratio with reservoir, 200 nL plus 200 nL. The reservoir consisted of 22% PEG MME 2000 plus 57 mM diammonium tartrate. Plates were stored at 20 C.
Crystal Properties
Matthews coefficientSolvent content
2.3547.58

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 87.628α = 90
b = 39.026β = 99.59
c = 107.765γ = 90
Symmetry
Space GroupI 1 2 1

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray100PIXELDECTRIS EIGER X 16M2018-03-02MSINGLE WAVELENGTH
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONAUSTRALIAN SYNCHROTRON BEAMLINE MX20.953736Australian SynchrotronMX2

Data Collection

Overall
ID #Resolution (High)Resolution (Low)Percent Possible (Observed)R Merge I (Observed)Rpim I (All)CC (Half)Net I Over Average Sigma (I)RedundancyNumber Reflections (All)Number Reflections (Observed)Observed Criterion Sigma (F)Observed Criterion Sigma (I)B (Isotropic) From Wilson Plot
12.1343.2980.070.0290.99813.16.919938
Highest Resolution Shell
ID #Resolution (High)Resolution (Low)Percent Possible (All)Percent Possible (Observed)R Merge I (Observed)Rpim I (All)CC (Half)Mean I Over Sigma (Observed)RedundancyNumber Unique Reflections (All)
12.132.1994.20.7480.310.8822.66.6

Refinement

Statistics
Diffraction IDStructure Solution MethodCross Validation methodResolution (High)Resolution (Low)Number Reflections (Observed)Number Reflections (R-Free)Percent Reflections (Observed)R-Factor (Observed)R-WorkR-FreeR-Free Selection DetailsMean Isotropic B
X-RAY DIFFRACTIONMOLECULAR REPLACEMENTTHROUGHOUT2.1343.21896597297.340.216290.213660.26434RANDOM59.159
Temperature Factor Modeling
Anisotropic B[1][1]Anisotropic B[1][2]Anisotropic B[1][3]Anisotropic B[2][2]Anisotropic B[2][3]Anisotropic B[3][3]
-2.5-2.546.28-2.77
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg33.43
r_dihedral_angle_3_deg16.355
r_dihedral_angle_4_deg16.306
r_long_range_B_refined9.549
r_long_range_B_other9.549
r_dihedral_angle_1_deg6.757
r_scangle_other6.186
r_mcangle_it5.466
r_mcangle_other5.464
r_scbond_it4.049
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg33.43
r_dihedral_angle_3_deg16.355
r_dihedral_angle_4_deg16.306
r_long_range_B_refined9.549
r_long_range_B_other9.549
r_dihedral_angle_1_deg6.757
r_scangle_other6.186
r_mcangle_it5.466
r_mcangle_other5.464
r_scbond_it4.049
r_scbond_other4.047
r_mcbond_it3.831
r_mcbond_other3.824
r_angle_refined_deg1.204
r_angle_other_deg0.778
r_chiral_restr0.057
r_bond_refined_d0.007
r_gen_planes_refined0.005
r_bond_other_d0.001
r_gen_planes_other0.001
r_nbd_refined
r_nbd_other
r_nbtor_refined
r_nbtor_other
r_xyhbond_nbd_refined
r_xyhbond_nbd_other
r_metal_ion_refined
r_metal_ion_other
r_symmetry_vdw_refined
r_symmetry_vdw_other
r_symmetry_hbond_refined
r_symmetry_hbond_other
r_symmetry_metal_ion_refined
r_symmetry_metal_ion_other
r_scangle_it
r_rigid_bond_restr
r_sphericity_free
r_sphericity_bonded
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms2436
Nucleic Acid Atoms
Solvent Atoms24
Heterogen Atoms52

Software

Software
Software NamePurpose
REFMACrefinement
XDSdata reduction
Aimlessdata scaling
PHASERphasing