5Y5F

Structure of cytochrome P450nor in NO-bound state: damaged by low-dose (0.72 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	2015-02-06
Detector	RAYONIX MX-225
Wavelength(s)	1.00
Spacegroup name	P 21 21 21
Unit cell lengths	54.916, 75.667, 101.811
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.973 - 1.500
R-factor	0.1618
Rwork	0.161
R-free	0.18560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1cl6
RMSD bond length	0.010
RMSD bond angle	1.049
Data scaling software	SCALEPACK
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	1.530
High resolution limit [Å]	1.500	4.070	1.500
Rmerge	0.077	0.044	0.517
Rmeas	0.084	0.049	0.571
Rpim	0.033	0.019	0.237
Number of reflections	67790	3633	3313
<I/σ(I)>	12.3
Completeness [%]	99.4	99	98
Redundancy	5.6	5.7	5.2
CC(1/2)		0.996	0.863

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