1M7J

Crystal structure of D-aminoacylase defines a novel subset of amidohydrolases

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	CCD
Collection date	2002-04-10
Detector	ADSC QUANTUM 4
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	60.102, 77.167, 135.744
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	150.000 * - 1.500
R-factor	0.161
Rwork	0.160
R-free	0.17400
Structure solution method	SAD
RMSD bond length	0.015
RMSD bond angle	1.770
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	150.000 *	1.550
High resolution limit [Å]	1.500	1.500
Rmerge	0.047	0.116
Number of reflections	100783	9984 *
<I/σ(I)>	50.5	17.6
Completeness [%]	99.2	100
Redundancy	6.3	6.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	295	Hsu, C.-S., (2002) Acta Crystallogr., Sect.D, 58, 1482. *
1	VAPOR DIFFUSION, HANGING DROP	5.6	295	Hsu, C.-S., (2002) Acta Crystallogr., Sect.D, 58, 1482. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG4000	25-30 (%)
2	1	reservoir	sodium citrate	0.1 (M)	pH5.6
3	1	reservoir	ammonium acetate	0.2 (M)
4	1	drop	protein	12-20 (mg/ml)