6A17

Crystal structure of CYP90B1 in complex with brassinazole

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B2
Synchrotron site	SPring-8
Beamline	BL26B2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-12-16
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.0
Spacegroup name	P 61 2 2
Unit cell lengths	58.857, 58.857, 539.215
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.038 - 2.301
R-factor	0.2357
Rwork	0.234
R-free	0.27470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6a15
RMSD bond length	0.002
RMSD bond angle	0.521
Data reduction software	XDS ((1.11.1_2575: ???))
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]	49.040	2.384
High resolution limit [Å]	2.301	2.301
Rmerge	0.079	0.357
Rmeas	0.084	0.456
Number of reflections	25669	1841
<I/σ(I)>	19.21	1.75
Completeness [%]	97.2	72.28
Redundancy	8.5	1.8
CC(1/2)	0.999	0.918

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.2	293	0.90 M sodium chloride, 0.10 M sodium/potassium phosphate buffer (pH6.2), 10%(w/v) PEG8,000