5J1M

Crystal structure of Csd1-Csd2 dimer II


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
1VAPOR DIFFUSION, SITTING DROP296HEPES, Jeffamine ED-2001
Crystal Properties
Matthews coefficientSolvent content
1.6726.4

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 53.149α = 90
b = 80.013β = 104.43
c = 74.594γ = 90
Symmetry
Space GroupP 1 21 1

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray100CCDADSC QUANTUM 2702015-10-04MSINGLE WAVELENGTH
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONPAL/PLS BEAMLINE 7A (6B, 6C1)0.9793PAL/PLS7A (6B, 6C1)

Data Collection

Overall
ID #Resolution (High)Resolution (Low)Percent Possible (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
12.3550.0199.926.66.225521
Highest Resolution Shell
ID #Resolution (High)Resolution (Low)Percent Possible (All)Percent Possible (Observed)Mean I Over Sigma (Observed)RedundancyNumber Unique Reflections (All)
12.352.393.9

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 REPLACEMENTTHROUGHOUT2.3550.0124021124699.690.171030.167710.23281RANDOM44.958
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]
0.440.34-0.17-0.39
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg37.792
r_dihedral_angle_4_deg15.313
r_dihedral_angle_3_deg13.548
r_long_range_B_refined7.388
r_long_range_B_other7.386
r_dihedral_angle_1_deg6.712
r_scangle_other4.963
r_mcangle_it4.103
r_mcangle_other4.103
r_scbond_other3.072
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg37.792
r_dihedral_angle_4_deg15.313
r_dihedral_angle_3_deg13.548
r_long_range_B_refined7.388
r_long_range_B_other7.386
r_dihedral_angle_1_deg6.712
r_scangle_other4.963
r_mcangle_it4.103
r_mcangle_other4.103
r_scbond_other3.072
r_scbond_it3.071
r_mcbond_it2.632
r_mcbond_other2.631
r_angle_refined_deg1.395
r_angle_other_deg0.926
r_chiral_restr0.088
r_bond_refined_d0.01
r_gen_planes_refined0.006
r_bond_other_d0.002
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 Atoms5418
Nucleic Acid Atoms
Solvent Atoms140
Heterogen Atoms2

Software

Software
Software NamePurpose
REFMACrefinement
HKL-2000data scaling
MOLREPphasing