4L4A

Structure of L358A/K178G 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	2011-07-12
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	36.436, 103.401, 105.813
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.783 - 2.103
R-factor	0.1733
Rwork	0.170
R-free	0.23120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2cpp
RMSD bond length	0.008
RMSD bond angle	1.143
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	2.160
High resolution limit [Å]	2.103	2.103
Rmerge	0.045	0.130
Number of reflections	23092
<I/σ(I)>	33	14
Completeness [%]	97.0	86
Redundancy	2.7	1.8

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