6DNT

UDP-N-acetylglucosamine 4-epimerase from Methanobrevibacter ruminantium M1 in complex with UDP-N-acetylmuramic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2016-11-09
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.95370
Spacegroup name	P 31 2 1
Unit cell lengths	89.497, 89.497, 82.717
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.360 - 1.660
R-factor	0.1527
Rwork	0.152
R-free	0.17170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ru7
RMSD bond length	0.008
RMSD bond angle	1.389
Data reduction software	XDS
Data scaling software	Aimless (0.5.28)
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.360	1.680
High resolution limit [Å]	1.650	1.650
Rmerge	0.091	0.773
Rmeas	0.095	0.815
Rpim	0.026	0.248
Number of reflections	45299	1292
<I/σ(I)>	22.6
Completeness [%]	97.8	56.9
Redundancy	12.9	10.4
CC(1/2)	0.999	0.736

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.9	294	0.2 M NaCl, 0.1 M Bis-Tris pH 5.9 and 25% (w/v) PEG 3350