2DPG

COMPLEX OF INACTIVE MUTANT (H240->N) OF GLUCOSE 6-PHOSPHATE DEHYDROGENASE FROM LEUCONOSTOC MESENTEROIDES WITH NADP+

Experimental procedure

Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX9.5
Synchrotron site	SRS
Beamline	PX9.5
Temperature [K]	293
Detector technology	IMAGE PLATE
Collection date	1994-12
Detector	MARRESEARCH
Spacegroup name	P 62 2 2
Unit cell lengths	136.700, 136.700, 121.200
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	25.000 - 2.500
R-factor	0.173
Rwork	0.173
R-free	0.23200
Structure solution method	RIGID-BODY, DIFFERENCE FOURIER
Starting model (for MR)	INCOMPLETE REFINED STRUCTURE OF NATIVE PROTEIN CONTAINING NADP
RMSD bond length	0.006
RMSD bond angle	22.700 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.600
High resolution limit [Å]	2.500	2.500
Rmerge	0.080	0.125 *
Total number of observations	21142 *
Number of reflections	16263
<I/σ(I)>	7.1	2.2
Completeness [%]	68.4	0.548
Redundancy	1.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5		HANGING DROP VAPOR DIFFUSION. 2+2 MICROLITER DROPS. IN THE WELL 2.27M UNBUFFERED AMMONIUM SULFATE. THE PROTEIN AT 4.8MG/ML IN 0.1M TRIS-HCL AT PH 7.5 WITH 0.5MM NADP+ AND 25MM G6P., vapor diffusion - hanging drop

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	ammonium sulfate	2.27 (M)
2	1	drop	enzyme	4.8 (mg/ml)
3	1	drop	Tris-HCl	25 (mM)
4	1	drop	NADP+	0.500 (mM)