5OFB

Crystal structure of human MORC2 (residues 1-603) with spinal muscular atrophy mutation S87L


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
1VAPOR DIFFUSION, SITTING DROP8.52910.1 M bicine/Trizma pH 8.5 10.2% PEG 4k 20.4% glycerol 0.02 M each of the following: 1,6-hexanediol; 1-butanol; RS-1,2 propanediol; 2-propanol; 1,4-butanediol; 1,3-propanediol
Crystal Properties
Matthews coefficientSolvent content
2.448

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 69.85α = 90
b = 124.68β = 97.73
c = 80.36γ = 90
Symmetry
Space GroupP 1 21 1

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray100PIXELDECTRIS PILATUS3 6M2017-04-15MSINGLE WAVELENGTH
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONESRF BEAMLINE ID290.975999ESRFID29

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
12.01879.62991.90.0520.0420.99913.53.882175
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)
12.0182.05396.70.6480.5290.83.7

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 REPLACEMENTTHROUGHOUTWild-type human MORC22.0279.6377992418391.910.19940.197890.22764RANDOM52.952
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]
2.481.07-1.7-1.03
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg34.539
r_dihedral_angle_4_deg19.319
r_dihedral_angle_3_deg18.445
r_long_range_B_refined10.127
r_long_range_B_other10.127
r_dihedral_angle_1_deg7.368
r_scangle_other5.491
r_mcangle_it4.276
r_mcangle_other4.275
r_scbond_it3.428
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg34.539
r_dihedral_angle_4_deg19.319
r_dihedral_angle_3_deg18.445
r_long_range_B_refined10.127
r_long_range_B_other10.127
r_dihedral_angle_1_deg7.368
r_scangle_other5.491
r_mcangle_it4.276
r_mcangle_other4.275
r_scbond_it3.428
r_scbond_other3.428
r_mcbond_other2.8
r_mcbond_it2.799
r_angle_refined_deg1.939
r_angle_other_deg1.135
r_chiral_restr0.127
r_bond_refined_d0.015
r_gen_planes_refined0.008
r_bond_other_d0.003
r_gen_planes_other0.002
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 Atoms8713
Nucleic Acid Atoms
Solvent Atoms304
Heterogen Atoms67

Software

Software
Software NamePurpose
REFMACrefinement
XDSdata reduction
Aimlessdata scaling
PHASERphasing