6Q94

Crystal structure of human GDP-D-mannose 4,6-dehydratase (S156D) in complex with GDP-Man

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-07-05
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.92819
Spacegroup name	C 2 2 21
Unit cell lengths	101.620, 231.060, 383.890
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	115.530 - 2.800
R-factor	0.1887
Rwork	0.186
R-free	0.23500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.066
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	115.530	2.870
High resolution limit [Å]	2.800	2.800
Number of reflections	111281
<I/σ(I)>	9.4
Completeness [%]	100.0
Redundancy	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	25% PEG3350, 0.2M ammonium acetate, 0.1M bis-tris pH 5.5