4NKY

Human steroidogenic cytochrome P450 17A1 mutant A105L with substrate 17alpha-hydroxyprogesterone

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	2013-05-22
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	91.285, 151.778, 168.045
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.153 - 2.550
R-factor	0.1816
Rwork	0.178
R-free	0.24410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3swz
RMSD bond length	0.007
RMSD bond angle	1.226
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]	39.153	2.690
High resolution limit [Å]	2.550	2.550
Number of reflections	76008
Completeness [%]	99.1	95.3
Redundancy	6.7	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	175 mM Tris-HCl, 250 mM lithium sulfate, 30% PEG3350, 3% glycerol, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K