5ZHB

Structure of Cellobiose 2-Epimerase from Bacillus thermoamylovorans B4167

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-07-17
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97946
Spacegroup name	C 1 2 1
Unit cell lengths	176.979, 52.336, 129.602
Unit cell angles	90.00, 129.94, 90.00

Refinement procedure

Resolution	34.220 - 1.850
R-factor	0.1776
Rwork	0.176
R-free	0.21000
RMSD bond length	0.009
RMSD bond angle	0.885
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.850
High resolution limit [Å]	1.800	1.800
Rmerge	0.041	0.606
Rmeas	0.050	0.729
Number of reflections	83031	5958
<I/σ(I)>	15.72	1.64
Completeness [%]	97.6	95.1
Redundancy	3.17	3.11
CC(1/2)	0.999	0.794

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.2M Trimethylamine-N-oxide, 0.1M Tris-HCl, pH8.5, 20% PEG4000