4TQG

Crystal structure of Megavirus UDP-GlcNAc 4,6-dehydratase, 5-epimerase Mg534

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	CCD
Collection date	2013-07-04
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.8729
Spacegroup name	P 63 2 2
Unit cell lengths	153.509, 153.509, 60.680
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.377 - 2.200
R-factor	0.1954
Rwork	0.193
R-free	0.23240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4j2o
RMSD bond length	0.007
RMSD bond angle	1.156
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.20)
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	38.377	38.377	2.320
High resolution limit [Å]	2.200	6.960	2.200
Rmerge		0.024	0.299
Rmeas	0.094
Rpim	0.036	0.011	0.127
Total number of observations	150564	4885	19931
Number of reflections	21901
<I/σ(I)>	15.5	28.5	6
Completeness [%]	100.0	99.3	100
Redundancy	6.9	6.1	6.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	malic acid 0.1M, PEG 3350 22-25% (w/v)