4JWS

Crystal structure of Cytochrome P450cam-putidaredoxin complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-09-14
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.02
Spacegroup name	P 1 21 1
Unit cell lengths	57.590, 106.720, 88.700
Unit cell angles	90.00, 107.91, 90.00

Refinement procedure

Resolution	54.799 - 2.150
R-factor	0.1776
Rwork	0.175
R-free	0.22500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB ENTRIES 2CPP AND 1XLO
RMSD bond length	0.009
RMSD bond angle	1.256
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	54.800	2.270
High resolution limit [Å]	2.150	2.150
Rmerge	0.103	0.792
Number of reflections	55488
<I/σ(I)>	7.1	2
Completeness [%]	100.0	100
Redundancy	3.5	3.5

Crystallization Conditions

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