4L4B

Structure of L358A/K178G/D182N mutant of P450cam bound to camphor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2012-02-29
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	36.503, 103.587, 105.843
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.508 - 2.099
R-factor	0.1794
Rwork	0.176
R-free	0.23550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2cpp
RMSD bond length	0.007
RMSD bond angle	1.155
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.140
High resolution limit [Å]	2.099	2.099
Rmerge	0.065	0.220
Number of reflections	22278
<I/σ(I)>	34	12
Completeness [%]	92.0	80
Redundancy	5.1	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	298	50 mM Tris, 400 mM potassium chloride, 32% PEG4000, 1.2 mM D-camphor, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 298K