5UKW

Crystal structure of human Glucose 6-phosphate Dehydrogenase mutant (A277C) complexed with G6P

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-07-19
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	0.97643
Spacegroup name	F 2 2 2
Unit cell lengths	59.099, 177.817, 216.470
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.230 - 2.650
R-factor	0.19101
Rwork	0.189
R-free	0.23368
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2bh9
RMSD bond length	0.015
RMSD bond angle	1.644
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.230	2.780
High resolution limit [Å]	2.650	2.650
Rmerge	0.154	1.532
Rpim	0.050
Number of reflections	16889
<I/σ(I)>	17.2	1.7
Completeness [%]	100.0	100
Redundancy	9.2	8.8
CC(1/2)	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	291	100 mM Tris-HCl pH 9, 200 mM MgCl2, 13% PEG 4000 and 20% glycerol