5Y5G

Structure of cytochrome P450nor in NO-bound state: damaged by high-dose (5.7 MGy) X-ray

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B1
Synchrotron site	SPring-8
Beamline	BL26B1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-05-18
Detector	RAYONIX MX-225
Wavelength(s)	1.00
Spacegroup name	P 21 21 21
Unit cell lengths	55.189, 75.477, 101.668
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.972 - 1.360
R-factor	0.1349
Rwork	0.133
R-free	0.16620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1cl6
RMSD bond length	0.008
RMSD bond angle	1.028
Data scaling software	SCALEPACK (1.10.1_2155)
Phasing software	MOLREP
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.380
High resolution limit [Å]	1.360	3.690	1.360
Rmerge	0.062	0.025	0.680
Rmeas	0.066	0.027	0.734
Rpim	0.024	0.010	0.274
Number of reflections	87504	3990	4484
<I/σ(I)>	9.1
Completeness [%]	95.2	80.9	98.9
Redundancy	7.2	6.8	7
CC(1/2)		0.999	0.840

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.6	293	17% PEG 10000, 0.1 M BIS-TRIS 0.1 M Ammonium acetate