6NBL

Cytochrome P450cam-putidaredoxin complex bound to camphor and cyanide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-07-28
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	57.360, 110.300, 88.620
Unit cell angles	90.00, 107.67, 90.00

Refinement procedure

Resolution	40.603 - 2.150
R-factor	0.1978
Rwork	0.195
R-free	0.25420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4jws
RMSD bond length	0.004
RMSD bond angle	0.667
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.603	2.227
High resolution limit [Å]	2.150	2.150
Rmerge	0.050	0.348
Rmeas		0.492
Rpim	0.050	0.348
Number of reflections	54970	5453
<I/σ(I)>	10.42	2.46
Completeness [%]	96.3	96.33
Redundancy	2	2
CC(1/2)	0.997	0.632

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	0.2 M calcium acetate hydrate, 14-22% PEG3350, pH 7.4, 50 mM KCN