6A16

Crystal structure of CYP90B1 in complex with uniconazole

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	CCD
Collection date	2014-10-27
Detector	RAYONIX MX-225
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	102.254, 57.638, 92.279
Unit cell angles	90.00, 100.43, 90.00

Refinement procedure

Resolution	45.567 - 1.998
R-factor	0.169
Rwork	0.167
R-free	0.20220
Structure solution method	SAD
RMSD bond length	0.004
RMSD bond angle	0.632
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]	45.570	2.070
High resolution limit [Å]	1.998	1.998
Rmerge	0.153	0.739
Rmeas	0.179	0.863
Number of reflections	35966	3473
<I/σ(I)>	9.16
Completeness [%]	99.4	97.61
Redundancy	3.8	3.7
CC(1/2)	0.986	0.639

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.20 M potassium chloride, 0.40 M sodium chloride, 22%(w/v) PEG3,350