2IZ7

structure of Moco Carrier Protein from Chlamydomonas reinhardtii


X-RAY DIFFRACTION

Crystallization

Crystal Properties
Matthews coefficientSolvent content
2.447.9

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 67.558α = 90
b = 124.548β = 90
c = 74.793γ = 90
Symmetry
Space GroupC 2 2 21

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray100IMAGE PLATERIGAKU IMAGE PLATEMSINGLE WAVELENGTH
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1ROTATING ANODE

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
12.3262.399.80.075.76.8163852
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)
12.322.461000.362.16

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 2IZ62.32621332470199.90.1850.1810.263RANDOM43.59
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]
0.09-2.982.88
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg46.515
r_dihedral_angle_4_deg19.433
r_dihedral_angle_3_deg17.477
r_dihedral_angle_1_deg8.75
r_scangle_it3.44
r_scbond_it2.235
r_angle_refined_deg1.826
r_mcangle_it1.467
r_mcbond_it1.239
r_angle_other_deg0.946
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg46.515
r_dihedral_angle_4_deg19.433
r_dihedral_angle_3_deg17.477
r_dihedral_angle_1_deg8.75
r_scangle_it3.44
r_scbond_it2.235
r_angle_refined_deg1.826
r_mcangle_it1.467
r_mcbond_it1.239
r_angle_other_deg0.946
r_symmetry_vdw_refined0.259
r_xyhbond_nbd_refined0.258
r_nbd_refined0.249
r_symmetry_hbond_refined0.24
r_nbd_other0.193
r_symmetry_vdw_other0.186
r_nbtor_refined0.17
r_chiral_restr0.107
r_nbtor_other0.093
r_bond_refined_d0.019
r_gen_planes_refined0.006
r_bond_other_d0.001
r_gen_planes_other0.001
r_xyhbond_nbd_other
r_metal_ion_refined
r_metal_ion_other
r_symmetry_hbond_other
r_symmetry_metal_ion_refined
r_symmetry_metal_ion_other
r_mcbond_other
r_mcangle_other
r_scbond_other
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 Atoms2255
Nucleic Acid Atoms
Solvent Atoms232
Heterogen Atoms

Software

Software
Software NamePurpose
REFMACrefinement
MOSFLMdata reduction
SCALAdata scaling