4BV8

Crystal structure of the apo form of mouse Mu-crystallin.


X-RAY DIFFRACTION

Starting Model(s)

Initial Refinement Model(s)
TypeSourceAccession CodeDetails
experimental modelPDB 2I99PDB ENTRY 2I99

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
18.510 MM TRIS-CL PH 8.5, 180 MM KH2PO4, 14.4% PEG 3350, 240 MM NASCN
Crystal Properties
Matthews coefficientSolvent content
2.4749.8

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 45.28α = 90
b = 96.55β = 103.28
c = 76.08γ = 90
Symmetry
Space GroupP 1 21 1

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray100CCDMARRESEARCH2006-06-14MSINGLE WAVELENGTH
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONESRF BEAMLINE BM30AESRFBM30A

Data Collection

Overall
ID #Resolution (High)Resolution (Low)Percent Possible (Observed)R Merge I (Observed)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
12.348.398.90.0613.42.9280872
Highest Resolution Shell
ID #Resolution (High)Resolution (Low)Percent Possible (All)Percent Possible (Observed)R Merge I (Observed)Mean I Over Sigma (Observed)RedundancyNumber Unique Reflections (All)
12.32.498.90.333.522.8

Refinement

Statistics
Diffraction IDStructure Solution MethodCross Validation methodStarting modelResolution (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 REPLACEMENTTHROUGHOUTPDB ENTRY 2I992.348.28266821404990.194950.192410.24327RANDOM34.658
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]
0.310.37-0.60.18
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg36.625
r_dihedral_angle_4_deg18.498
r_dihedral_angle_3_deg17.771
r_dihedral_angle_1_deg5.47
r_mcangle_it1.604
r_angle_refined_deg1.097
r_mcbond_it0.922
r_mcbond_other0.921
r_scbond_it0.9
r_angle_other_deg0.733
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg36.625
r_dihedral_angle_4_deg18.498
r_dihedral_angle_3_deg17.771
r_dihedral_angle_1_deg5.47
r_mcangle_it1.604
r_angle_refined_deg1.097
r_mcbond_it0.922
r_mcbond_other0.921
r_scbond_it0.9
r_angle_other_deg0.733
r_chiral_restr0.059
r_bond_refined_d0.006
r_gen_planes_refined0.004
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_mcangle_other
r_scbond_other
r_scangle_it
r_scangle_other
r_long_range_B_refined
r_long_range_B_other
r_rigid_bond_restr
r_sphericity_free
r_sphericity_bonded
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms4435
Nucleic Acid Atoms
Solvent Atoms207
Heterogen Atoms8

Software

Software
Software NamePurpose
REFMACrefinement
XDSdata reduction
XDSdata scaling
PHASERphasing