3QZ1

Crystal Structure of Bovine Steroid of 21-hydroxylase (P450c21)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2011-02-06
Detector	MAR scanner 300 mm plate
Wavelength(s)	0.97
Spacegroup name	P 1 21 1
Unit cell lengths	67.871, 167.998, 111.843
Unit cell angles	90.00, 90.09, 90.00

Refinement procedure

Resolution	30.000 - 3.000
Rwork	0.282
R-free	0.29730
RMSD bond length	0.010
RMSD bond angle	1.508
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.030
High resolution limit [Å]	3.000	3.000
Rmerge	0.092	0.539
Number of reflections	47687
<I/σ(I)>	4.5	1.21
Completeness [%]	95.0	91.9
Redundancy		3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	295	PEG 3350, Tacsimate, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 295K
1	VAPOR DIFFUSION, HANGING DROP	7.4	295	PEG 3350, Tacsimate, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 295K
1	VAPOR DIFFUSION, HANGING DROP	7.4	295	PEG 3350, Tacsimate, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 295K