6A15

Structure of CYP90B1 in complex with cholesterol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL32XU
Synchrotron site	SPring-8
Beamline	BL32XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-07-20
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	76.818, 80.574, 83.031
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.516 - 1.790
R-factor	0.1594
Rwork	0.158
R-free	0.18700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6a18
RMSD bond length	0.017
RMSD bond angle	1.389
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: 000))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.520	1.854
High resolution limit [Å]	1.790	1.790
Rmerge	0.118	0.487
Rmeas	0.134	0.567
Number of reflections	49003	48938
<I/σ(I)>	9.61	2.37
Completeness [%]	99.4	96.52
Redundancy	4.5	3.7
CC(1/2)	0.990	0.796

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.8	293	0.1 M trisodium citrate (pH4.8)