1Q7L

Zn-binding domain of the T347G mutant of human aminoacylase-I

Experimental procedure

Experimental method	SAD
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X8C
Synchrotron site	NSLS
Beamline	X8C
Temperature [K]	100
Detector technology	CCD
Collection date	2002-04-20
Detector	ADSC QUANTUM 4
Wavelength(s)	1.005685
Spacegroup name	P 21 21 21
Unit cell lengths	53.528, 67.249, 146.479
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 * - 1.400
R-factor	0.13299
Rwork	0.133
R-free	0.17200 *
Structure solution method	SIRAS
RMSD bond length	0.023
RMSD bond angle	1.890
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	REFMAC (5.1.08)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000 *
High resolution limit [Å]	1.500 *	1.500 *
Rmerge	0.074 *	0.344 *
Total number of observations	529534 *
Number of reflections	158345 *
Completeness [%]	95.8 *	81.9 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5 *	293	PEG8000, (NH4)2SO4, CoCl2, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	5-8 (mg/ml)
2	1	drop	Tris-HCl	20 (mM)	pH7.5
3	1	reservoir	PEG8000	20 (%(w/v))
4	1	reservoir	ammonium sulfate	0.2 (M)
5	1	reservoir		2 (mM)