4NKX

Human steroidogenic cytochrome P450 17A1 mutant A105L with substrate progesterone

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-02-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.00
Spacegroup name	P 21 21 21
Unit cell lengths	85.934, 153.036, 173.243
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.134 - 2.794
R-factor	0.1879
Rwork	0.184
R-free	0.25670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3swz
RMSD bond length	0.008
RMSD bond angle	1.083
Data reduction software	XDS
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]	39.134	2.940
High resolution limit [Å]	2.794	2.794
Number of reflections	56987
Completeness [%]	99.2	95.5
Redundancy	6.7	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	100 mM Tris-HCl, 25% PEG4000, 150 mM magnesium chloride hexahydrate, 6% glycerol, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K