2GQX

Crystal structure of cytochrome p450cam mutant (f87w/y96f/l244a/v247l/c334a) with pentachlorobenzene

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2003-11-15
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	67.033, 62.037, 95.004
Unit cell angles	90.00, 89.64, 90.00

Refinement procedure

Resolution	26.000 - 2.100
R-factor	0.197
Rwork	0.193
R-free	0.23600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2cpp
RMSD bond length	0.006
RMSD bond angle	1.300
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.180
High resolution limit [Å]	2.100	2.100
Number of reflections	44465
Completeness [%]	97.1	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	289	0.2M Sodium Acetate trihydrate, 0.1M Sodium Cacodylate, 30% PEG 8000, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 289K