1FRR | pdb_00001frr

CRYSTAL STRUCTURE OF [2FE-2S] FERREDOXIN I FROM EQUISETUM ARVENSE AT 1.8 ANGSTROMS RESOLUTION


X-RAY DIFFRACTION

Crystallization

Crystal Properties
Matthews coefficientSolvent content
2.0138.81

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 30.4α = 90
b = 57.4β = 78.7
c = 47.5γ = 90
Symmetry
Space GroupP 1 21 1

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray

Refinement

Statistics
Diffraction IDStructure Solution MethodResolution (High)Resolution (Low)Cut-off Sigma (F)Number Reflections (Observed)Number Reflections (R-Free)Percent Reflections (Observed)R-Factor (Observed)R-Work (Depositor)R-Free (Depositor)Mean Isotropic B
X-RAY DIFFRACTION1.8101138380.17
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]
RMS Deviations
KeyRefinement Restraint Deviation
p_orthonormal_tor19.4
p_staggered_tor19
p_scangle_it8.95
p_scbond_it6.61
p_mcangle_it4.72
p_mcbond_it3.61
p_planar_tor2.1
p_multtor_nbd0.282
p_xhyhbond_nbd0.22
p_singtor_nbd0.191
RMS Deviations
KeyRefinement Restraint Deviation
p_orthonormal_tor19.4
p_staggered_tor19
p_scangle_it8.95
p_scbond_it6.61
p_mcangle_it4.72
p_mcbond_it3.61
p_planar_tor2.1
p_multtor_nbd0.282
p_xhyhbond_nbd0.22
p_singtor_nbd0.191
p_chiral_restr0.15
p_planar_d0.046
p_angle_d0.042
p_bond_d0.014
p_plane_restr0.012
p_angle_deg
p_hb_or_metal_coord
p_xyhbond_nbd
p_transverse_tor
p_special_tor
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms1412
Nucleic Acid Atoms
Solvent Atoms183
Heterogen Atoms8

Software

Software
Software NamePurpose
PROLSQrefinement