2BHL

X-RAY STRUCTURE OF HUMAN GLUCOSE-6-PHOSPHATE DEHYDROGENASE (DELETION VARIANT) COMPLEXED WITH GLUCOSE-6-PHOSPHATE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX14.1
Synchrotron site	SRS
Beamline	PX14.1
Temperature [K]	100
Detector technology	CCD
Collection date	2002-11-27
Detector	ADSC CCD
Spacegroup name	C 2 2 21
Unit cell lengths	117.552, 179.527, 137.938
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	69.000 - 2.900
R-factor	0.214
Rwork	0.212
R-free	0.26100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1QKI CHAIN A B
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	TNT (BUSTER/TNT)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	69.000	3.070
High resolution limit [Å]	2.900	2.900
Rmerge	0.120	0.410
Number of reflections	32261
<I/σ(I)>	5.3	2
Completeness [%]	98.9	92.9
Redundancy	6.8	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		8.5		0.1M TRIS, PH 8.5; 0.2M MGCL2; 12% PEG 4000; 5% GLYCEROL