1PMO

Crystal structure of Escherichia coli GadB (neutral pH)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Collection date	1999-11-18
Detector	MARRESEARCH
Wavelength(s)	0.934
Spacegroup name	P 32
Unit cell lengths	115.995, 115.995, 207.350
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.300
Rwork	0.200
R-free	0.23300
Structure solution method	MAD
Starting model (for MR)	NULL
RMSD bond length	0.006
RMSD bond angle	1.260 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.350
High resolution limit [Å]	2.300	2.300
Rmerge	0.097	0.422
Number of reflections	136345 *
<I/σ(I)>	8.1	2.1
Completeness [%]	98.9	99
Redundancy	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7.6	293	ammonium sulphate, Tris, pH 7.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20 (mg/ml)
2	1	reservoir	ammonium sulfate	1.9-2.0 (M)
3	1	reservoir	Tris	100 (mM)	pH7.6