1FG3

CRYSTAL STRUCTURE OF L-HISTIDINOL PHOSPHATE AMINOTRANSFERASE COMPLEXED WITH L-HISTIDINOL

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2000-05-31
Detector	RIGAKU RAXIS IIC
Spacegroup name	C 1 2 1
Unit cell lengths	132.484, 62.435, 45.530
Unit cell angles	90.00, 104.26, 90.00

Refinement procedure

Resolution	45.000 - 2.200
R-factor	0.198 *
Rwork	0.198
R-free	0.21800
RMSD bond length	0.007
RMSD bond angle	1.500 *
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.000	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.072	0.213
Total number of observations	51924 *
Number of reflections	17053
<I/σ(I)>	11.4
Completeness [%]	92.6	68.7
Redundancy	3	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5 *	292	PEG 3350, Tris-Hcl, MgCl2, Glycerol, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 292K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	8 (mg/ml)
2	1	drop	Tris-HCl	20 (mM)
3	1	drop		200 (mM)
4	1	drop	EDTA	1 (mM)
5	1	reservoir	PEG3350	22.5 (%(w/v))
6	1	reservoir	Tris-HCl	50 (mM)
7	1	reservoir		200 (mM)
8	1	reservoir	glycerol	7 (%(w/v))