7M8I

Human CYP11B2 and human adrenodoxin in complex with fadrozole

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	CCD
Collection date	2020-08-10
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.9786
Spacegroup name	C 1 2 1
Unit cell lengths	140.579, 208.700, 124.919
Unit cell angles	90.00, 114.07, 90.00

Refinement procedure

Resolution	48.160 - 2.940
R-factor	0.2107
Rwork	0.210
R-free	0.24390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4fdh 3p1m
RMSD bond length	0.012
RMSD bond angle	1.161
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.990
High resolution limit [Å]	2.933	2.933
Rpim	0.073	0.612
Number of reflections	69937	3458
<I/σ(I)>	11.06	1.2
Completeness [%]	100.0
Redundancy	7.7
CC(1/2)	0.991	0.560

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	0.2 M lithium sulfate 0.1 M Tris hydrochloride, pH 8.5 30% PEG 4,000