5B6K

Crystal structure of Ketoreductase 1 from Candida glabrata

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site	Photon Factory
Beamline	AR-NW12A
Temperature [K]	100
Detector technology	CCD
Collection date	2016-02-26
Detector	ADSC QUANTUM 270
Wavelength(s)	1.0000
Spacegroup name	P 65
Unit cell lengths	61.620, 61.620, 189.930
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	35.473 - 1.701
R-factor	0.169
Rwork	0.168
R-free	0.19050
RMSD bond length	0.007
RMSD bond angle	0.839
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.800
High resolution limit [Å]	1.700	1.700
Rmerge	0.052	0.431
Number of reflections	44487
<I/σ(I)>	25.32	5.23
Completeness [%]	99.7	99.7
Redundancy	7.58	7.37

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	293	100mM sodium citrate buffer (pH 5.5), 1995mM (NH4)2SO4