5JQV

Crystal structure of Cytochrome P450 BM3 heme domain T269V/L272W/L322I/A406S (WIVS) variant with iron(III) deuteroporphyrin IX bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2015-10-31
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	106.708, 167.405, 228.471
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.970 - 2.340
R-factor	0.215
Rwork	0.215
R-free	0.28400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5jqu
RMSD bond length	0.009
RMSD bond angle	1.149
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.970	2.380
High resolution limit [Å]	2.336	2.340
Rmerge	0.162	0.462
Number of reflections	173212
<I/σ(I)>	9	4.6
Completeness [%]	99.9	100
Redundancy	11.5	11.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	298	0.25 M MgCl2, 17% PEG3350