1R7H

NrdH-redoxin of Corynebacterium ammoniagenes forms a domain-swapped dimer


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
1VAPOR DIFFUSION, HANGING DROP7.86293Na-citrate, Tris, MPD, spermidine, pH 7.86, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Crystal Properties
Matthews coefficientSolvent content
2.856.13

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 89.63α = 90
b = 89.63β = 90
c = 40.15γ = 120
Symmetry
Space GroupP 63

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray100IMAGE PLATEMARRESEARCH2000-09-14MSINGLE WAVELENGTH
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1ROTATING ANODERIGAKU1.5418

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
12.692598.651875187
Highest Resolution Shell
ID #Resolution (High)Resolution (Low)Percent Possible (All)Percent Possible (Observed)Mean I Over Sigma (Observed)RedundancyNumber Unique Reflections (All)
2.692.7698.1

Refinement

Statistics
Diffraction IDStructure Solution MethodCross Validation methodStarting modelResolution (High)Resolution (Low)Number Reflections (All)Number Reflections (Observed)Number Reflections (R-Free)Percent Reflections (Observed)R-Factor (All)R-Factor (Observed)R-WorkR-FreeR-Free Selection DetailsMean Isotropic B
X-RAY DIFFRACTIONMOLECULAR REPLACEMENTTHROUGHOUTPDB entry 1H752.6923.75179494223798.310.247870.245130.243050.2876RANDOM30.383
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]
0.550.270.55-0.82
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_1_deg5.148
r_scangle_it0.945
r_angle_refined_deg0.894
r_angle_other_deg0.694
r_mcangle_it0.576
r_scbond_it0.523
r_mcbond_it0.311
r_symmetry_hbond_refined0.307
r_symmetry_vdw_other0.203
r_nbd_other0.191
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_1_deg5.148
r_scangle_it0.945
r_angle_refined_deg0.894
r_angle_other_deg0.694
r_mcangle_it0.576
r_scbond_it0.523
r_mcbond_it0.311
r_symmetry_hbond_refined0.307
r_symmetry_vdw_other0.203
r_nbd_other0.191
r_xyhbond_nbd_refined0.183
r_nbd_refined0.151
r_nbtor_other0.083
r_symmetry_vdw_refined0.08
r_chiral_restr0.052
r_bond_refined_d0.006
r_gen_planes_refined0.002
r_bond_other_d0.001
r_gen_planes_other0.001
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms1150
Nucleic Acid Atoms
Solvent Atoms37
Heterogen Atoms

Software

Software
Software NamePurpose
REFMACrefinement
DENZOdata reduction
SCALEPACKdata scaling
AMoREphasing