1GEY

CRYSTAL STRUCTURE OF HISTIDINOL-PHOSPHATE AMINOTRANSFERASE COMPLEXED WITH N-(5'-PHOSPHOPYRIDOXYL)-L-GLUTAMATE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	287
Detector technology	IMAGE PLATE
Collection date	2000-09-26
Detector	RIGAKU RAXIS IIC
Spacegroup name	C 1 2 1
Unit cell lengths	133.213, 63.732, 46.199
Unit cell angles	90.00, 104.25, 90.00

Refinement procedure

Resolution	8.000 - 2.300
R-factor	0.182
Rwork	0.178
R-free	0.25700
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1gew
RMSD bond length	0.006
RMSD bond angle	1.316
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MLPHARE
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.089	0.265
Total number of observations	55982 *
Number of reflections	16231 *
<I/σ(I)>	10.17
Completeness [%]	99.1	97.4
Redundancy	3.4	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.7	20 *	PEG 4000, magnesium chloride, tris, pH 7.7, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20-25 (mg/ml)
2	1	reservoir	PEG4000	21 (%(w/v))
3	1	reservoir		200 (mM)
4	1	reservoir	Tris-HCl	100 (mM)