7AN4

MlghB, GDP-mannoheptose C3,5 epimerase from Campylobacter jejuni complex with GDP-mannose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2016-10-01
Detector	RIGAKU
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	42.350, 121.880, 154.050
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	56.670 - 2.600
R-factor	0.212
Rwork	0.211
R-free	0.23450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1dzr
RMSD bond length	0.010
RMSD bond angle	1.570
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	56.700	2.670
High resolution limit [Å]	2.600	2.600
Rmerge	0.162	0.669
Number of reflections	23972	1611
<I/σ(I)>	12.5	3.5
Completeness [%]	99.0
Redundancy	7
CC(1/2)	1.000	0.800

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