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5Y5F

Structure of cytochrome P450nor in NO-bound state: damaged by low-dose (0.72 MGy) X-ray

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSPRING-8 BEAMLINE BL26B1
Synchrotron siteSPring-8
BeamlineBL26B1
Temperature [K]100
Detector technologyCCD
Collection date2015-02-06
DetectorRAYONIX MX-225
Wavelength(s)1.00
Spacegroup nameP 21 21 21
Unit cell lengths54.916, 75.667, 101.811
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution26.973 - 1.500
R-factor0.1618
Rwork0.161
R-free0.18560
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1cl6
RMSD bond length0.010
RMSD bond angle1.049
Data scaling softwareSCALEPACK
Refinement softwarePHENIX (1.10.1_2155)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]30.00030.0001.530
High resolution limit [Å]1.5004.0701.500
Rmerge0.0770.0440.517
Rmeas0.0840.0490.571
Rpim0.0330.0190.237
Number of reflections6779036333313
<I/σ(I)>12.3
Completeness [%]99.49998
Redundancy5.65.75.2
CC(1/2)0.9960.863
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP6.629317% PEG 10000, 0.1 M BIS-TRIS 0.1 M Ammonium acetate

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