5ZJP

Structure of N-acetylmannosamine-6-phosphate-2-epimerase from Vibrio cholerae with N-acetylglucosamine-6-phosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-09-29
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.978570
Spacegroup name	P 21 21 21
Unit cell lengths	48.959, 70.653, 149.362
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.945 - 2.660
R-factor	0.2326
Rwork	0.230
R-free	0.27530
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.771
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.790	49.790	2.790
High resolution limit [Å]	2.660	8.820	2.660
Rmerge	0.138	0.057	0.493
Rmeas	0.152	0.064	0.545
Rpim	0.062	0.027	0.230
Total number of observations	89562	2613	10022
Number of reflections	15416	499	1900
<I/σ(I)>	8.7	18.8	2.4
Completeness [%]	99.1	99.2	94.3
Redundancy	5.8	5.2	5.3
CC(1/2)	0.993	0.995	0.892

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	293	0.2M Malonate, pH 5.0, 20% PEG 3350, 1M Malonate, pH 7.0