4TRI

X-ray crystal structure of CYP142A2 from Mycobacterium smegmatis, complexed with cholesterol sulfate.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2014-05-15
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	61.455, 96.140, 145.888
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.055 - 2.000
R-factor	0.1651
Rwork	0.163
R-free	0.21330
RMSD bond length	0.007
RMSD bond angle	1.165
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.000
Number of reflections	53177
<I/σ(I)>	16.8
Completeness [%]	94.2
Redundancy	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	20-28% PEG 3350, 50mM NaCl, 10% glycerol