3WKH

Crystal structure of cellobiose 2-epimerase in complex with epilactose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-1A
Synchrotron site	Photon Factory
Beamline	BL-1A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-12-16
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	41.869, 87.536, 93.962
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.768 - 1.644
R-factor	0.1625
Rwork	0.161
R-free	0.18770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3wkf
RMSD bond length	0.006
RMSD bond angle	1.108
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX ((AutoMR: 1.7.1_743))
Refinement software	PHENIX ((phenix.refine: dev_1389))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.740
High resolution limit [Å]	1.640	1.640
Rmerge	0.071	0.486
Number of reflections	42413
<I/σ(I)>	17.3	3.6
Completeness [%]	99.0	93.6
Redundancy	6.5	6.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	293	0.1M sodium acetate buffer pH4.5, 1.0M ammonium hydrogen phosphate, VAPOR DIFFUSION, SITTING DROP, temperature 293K