6WN6

Crystal structure of 3-keto-D-glucoside 4-epimerase, YcjR, from E. coli, apo form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-11-14
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979231
Spacegroup name	P 41 21 2
Unit cell lengths	116.576, 116.576, 247.725
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.910 - 1.860
R-factor	0.1758
Rwork	0.175
R-free	0.19850
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	0.795
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.890
High resolution limit [Å]	1.860	5.050	1.860
Rmerge	0.101	0.051	0.939
Rmeas	0.104	0.053	0.972
Rpim	0.027	0.014	0.250
Total number of observations	2113171
Number of reflections	143197	7702	7069
<I/σ(I)>	8.3
Completeness [%]	100.0	99.7	100
Redundancy	14.8	13.4	14.9
CC(1/2)		0.999	0.913

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	294	0.1 M sodium malonate, 12% PEG 3350