3CY0

Crystal structure of cytochrome P450 CYP121 S237A mutant from Mycobacterium tuberculosis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-3
Synchrotron site	ESRF
Beamline	ID14-3
Temperature [K]	100
Detector technology	CCD
Collection date	2007-05-05
Detector	ADSC QUANTUM 210
Wavelength(s)	0.96
Spacegroup name	P 65 2 2
Unit cell lengths	77.830, 77.830, 264.672
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	67.420 - 1.900
R-factor	0.20366
Rwork	0.202
R-free	0.23249
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1n40
RMSD bond length	0.015
RMSD bond angle	1.493
Data reduction software	MOSFLM
Data scaling software	SCALEPACK
Phasing software	REFMAC (5.2.0005)
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall
Low resolution limit [Å]	67.420
High resolution limit [Å]	1.900
Number of reflections	36503
Completeness [%]	99.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	277	2M ammonium sulphate, pH 7, VAPOR DIFFUSION, SITTING DROP, temperature 277K