6GK5

Crystal structure of cytochrome P450 CYP267B1 from Sorangium cellulosum So ce56

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-12-11
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97625
Spacegroup name	P 21 21 21
Unit cell lengths	51.501, 66.390, 104.304
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.000 - 1.600
R-factor	0.188
Rwork	0.187
R-free	0.20790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4umz
RMSD bond length	0.019
RMSD bond angle	1.524
Data reduction software	XDS
Data scaling software	Aimless (0.5.28)
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	41.000	41.000	1.630
High resolution limit [Å]	1.600	8.620	1.600
Rmerge	0.034	0.022	0.388
Rmeas	0.039	0.025	0.449
Rpim	0.018	0.012	0.222
Number of reflections	45694	332	2319
<I/σ(I)>	18.6
Completeness [%]	95.6	90.4	95.1
Redundancy	3.8	3.6	3.7
CC(1/2)	0.999	0.999	0.837

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	36% (v/v) Tacsimate reagent (pH 7.0)