7ANJ

DdahB, GDP-mannoheptose C3,5 epimerase from Campylobacter jejuni complexed to GDP-mannose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	120
Detector technology	CCD
Collection date	2016-10-04
Detector	RIGAKU SATURN 944
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	48.001, 67.810, 53.140
Unit cell angles	90.00, 91.79, 90.00

Refinement procedure

Resolution	53.110 - 2.350
R-factor	0.188
Rwork	0.185
R-free	0.24360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1dzr
RMSD bond length	0.007
RMSD bond angle	1.302
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]	53.110	2.430
High resolution limit [Å]	2.350	2.350
Rmerge	0.061	0.169
Number of reflections	13466	879
<I/σ(I)>	16.3	6.1
Completeness [%]	98.0	89
Redundancy	3.6	2.7
CC(1/2)	1.000	0.900

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	24 % (w/v) PEG 1500, 20 % (v/v) glycerol