6WJ9

UDP-GlcNAc C4-epimerase mutant S121A/Y146F from Pseudomonas protegens in complex with UDP-GlcNAc

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2013-07-30
Detector	ADSC QUANTUM 315
Wavelength(s)	1.075
Spacegroup name	P 21 21 2
Unit cell lengths	124.195, 75.487, 79.271
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.030 - 2.110
R-factor	0.1579
Rwork	0.156
R-free	0.19450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1sb8
RMSD bond length	0.006
RMSD bond angle	0.863
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.030	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.122	0.722
Number of reflections	82655	3685
<I/σ(I)>	23.6	3.6
Completeness [%]	100.0
Redundancy	7.6	12.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	21% PEG 4000, 0.1 M sodium citrate pH 5.6, 0.2 M ammonium sulfate