6GK6

Crystal structure of myxobacterial cytochrome P450 CYP267B1 in complex with myristic acid

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	51.804, 66.647, 104.516
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.000 - 1.600
R-factor	0.1884
Rwork	0.187
R-free	0.20800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4umz
RMSD bond length	0.015
RMSD bond angle	1.329
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	8.760	1.600
Rmerge	0.060	0.038	0.553
Rmeas	0.069	0.043	0.643
Rpim	0.033	0.020	0.317
Number of reflections	47055	317	2350
<I/σ(I)>	10.4
Completeness [%]	97.5	91.3	99
Redundancy	3.6	3.6	3.5
CC(1/2)	0.998	0.997	0.676

Crystallization Conditions

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