4NES

Crystal structure of Methanocaldococcus jannaschii UDP-GlcNAc 2-epimerase in complex with UDP-GlcNAc and UDP

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13B1
Synchrotron site	NSRRC
Beamline	BL13B1
Temperature [K]	200
Detector technology	CCD
Collection date	2013-09-12
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9638, 0.9789, 0.9791
Spacegroup name	C 1 2 1
Unit cell lengths	130.869, 52.743, 59.428
Unit cell angles	90.00, 94.62, 90.00

Refinement procedure

Resolution	25.001 - 1.420
R-factor	0.1959
Rwork	0.195
R-free	0.22000
Structure solution method	MAD
RMSD bond length	0.007
RMSD bond angle	1.241
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	PHENIX ((phenix.refine: 1.8.1_1168))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.470
High resolution limit [Å]	1.420	1.420
Rmerge		0.362
Number of reflections	74655
Completeness [%]	98.0	97.2
Redundancy		3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.1	277	40mM Tris-propane, 60mM citric acid, 16% PEG 3350, pH 4.1, VAPOR DIFFUSION, SITTING DROP, temperature 277K