7ANG

MlghB, GDP-mannoheptose C3,5 epimerase from Campylobacter jejuni

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	120
Detector technology	PIXEL
Collection date	2016-10-04
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9159
Spacegroup name	P 21 21 21
Unit cell lengths	42.258, 121.670, 153.797
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	77.020 - 2.140
R-factor	0.21594
Rwork	0.215
R-free	0.23896
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1dzr
RMSD bond length	0.010
RMSD bond angle	1.424
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	95.100	2.200
High resolution limit [Å]	2.140	2.140
Rmerge	0.060	0.760
Number of reflections	41762	2944
<I/σ(I)>	12.7	1.1
Completeness [%]	100.0
Redundancy	5.9
CC(1/2)	1.000	0.500

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	31.05 % (w/v) PEG 1500, 0.25 M sodium-potassium phosphate, 3.83 % (v/v) 1,4-dioxane)