8QNS

Crystal structure of murine AIF bound to N-terminal domain of CHCHD4


X-RAY DIFFRACTION

Starting Model(s)

Initial Refinement Model(s)
TypeSourceAccession CodeDetails
experimental modelPDB 3GD4 

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
1VAPOR DIFFUSION, SITTING DROP827720% PEG 6k, 100 mM Tris-HCl pH 8.0
Crystal Properties
Matthews coefficientSolvent content
3.0459.56

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 110.087α = 90
b = 115.619β = 90
c = 192.727γ = 90
Symmetry
Space GroupP 21 21 21

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray100PIXELDECTRIS PILATUS 2M2022-11-30MSINGLE WAVELENGTH
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONESRF BEAMLINE ID30B0.96546ESRFID30B

Data Collection

Overall
ID #Resolution (High)Resolution (Low)Percent Possible (Observed)R Merge I (Observed)Rrim I (All)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
13.20699.14693.60.3030.3150.0860.9967.613.224919
Highest Resolution Shell
ID #Resolution (High)Resolution (Low)Percent Possible (All)Percent Possible (Observed)R Merge I (Observed)Rrim I (All)Rpim I (All)CC (Half)Mean I Over Sigma (Observed)RedundancyNumber Unique Reflections (All)
13.2063.48364.61.8781.9510.5250.6561.613.6

Refinement

Statistics
Diffraction IDStructure Solution MethodCross Validation methodResolution (High)Resolution (Low)Number Reflections (Observed)Number Reflections (R-Free)Percent Reflections (Observed)R-Factor (All)R-WorkR-FreeR-Free Selection DetailsMean Isotropic B
X-RAY DIFFRACTIONMOLECULAR REPLACEMENTTHROUGHOUT3.20699.14624919123660.6520.2350.23250.2844RANDOM76.592
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]
3.107-2.913-0.194
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_3_deg17.478
r_dihedral_angle_6_deg15.143
r_dihedral_angle_2_deg7.763
r_dihedral_angle_1_deg5.535
r_lrange_it4.461
r_lrange_other4.461
r_chiral_restr_other1.537
r_angle_refined_deg1.204
r_dihedral_angle_other_2_deg0.965
r_angle_other_deg0.67
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_3_deg17.478
r_dihedral_angle_6_deg15.143
r_dihedral_angle_2_deg7.763
r_dihedral_angle_1_deg5.535
r_lrange_it4.461
r_lrange_other4.461
r_chiral_restr_other1.537
r_angle_refined_deg1.204
r_dihedral_angle_other_2_deg0.965
r_angle_other_deg0.67
r_symmetry_xyhbond_nbd_refined0.607
r_nbd_other0.288
r_symmetry_nbd_refined0.238
r_symmetry_nbd_other0.228
r_nbd_refined0.214
r_xyhbond_nbd_refined0.188
r_nbtor_refined0.182
r_symmetry_nbtor_other0.086
r_chiral_restr0.05
r_symmetry_xyhbond_nbd_other0.023
r_bond_refined_d0.006
r_gen_planes_refined0.005
r_gen_planes_other0.005
r_bond_other_d0.001
r_mcbond_it
r_mcbond_other
r_mcangle_it
r_mcangle_other
r_scbond_it
r_scbond_other
r_scangle_it
r_scangle_other
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms14227
Nucleic Acid Atoms
Solvent Atoms86
Heterogen Atoms388

Software

Software
Software NamePurpose
REFMACrefinement
XDSdata reduction
STARANISOdata scaling
MOLREPphasing