1ERZ

CRYSTAL STRUCTURE OF N-CARBAMYL-D-AMINO ACID AMIDOHYDROLASE WITH A NOVEL CATALYTIC FRAMEWORK COMMON TO AMIDOHYDROLASES

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL45XU
Synchrotron site	SPring-8
Beamline	BL45XU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1998-10-13
Detector	RIGAKU RAXIS IV
Spacegroup name	P 21 21 2
Unit cell lengths	67.840, 137.830, 68.390
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	69.000 - 1.700
Rwork	0.176
R-free	0.20100
RMSD bond length	0.005
RMSD bond angle	1.380
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MLPHARE
Refinement software	CNS (0.9)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	69.000	1.760
High resolution limit [Å]	1.700	1.700
Rmerge	0.064	0.207
Total number of observations	189832 *
Number of reflections	68596
<I/σ(I)>	22.8
Completeness [%]	96.1	91.4
Redundancy	2.8	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	20 *	PEG 6000, lithium chloride, HEPES, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir		0.2 (M)
2	1	reservoir	HEPES	0.1 (M)
3	1	reservoir	PEG6000	20 (%)