4L4C

Structure of L358P/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	2012-06-27
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.54
Spacegroup name	P 1 21 1
Unit cell lengths	67.581, 61.519, 94.964
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.263 - 2.200
R-factor	0.1738
Rwork	0.170
R-free	0.24340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2cpp
RMSD bond length	0.008
RMSD bond angle	1.236
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]	50.000	2.320
High resolution limit [Å]	2.200	2.200
Rmerge	0.054	0.160
Number of reflections	37084
<I/σ(I)>	11	3.4
Completeness [%]	93.0	68
Redundancy	2	1.3

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