1GKQ

D-Hydantoinase (Dihydropyrimidinase) from Thermus sp. in space group P212121

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ENRAF-NONIUS FR591
Temperature [K]	283
Detector technology	IMAGE PLATE
Collection date	1997-11-06
Detector	MAC SCIENCE DIP-2030H
Spacegroup name	P 21 21 21
Unit cell lengths	83.200, 161.500, 168.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 - 2.600
R-factor	0.1876
Rwork	0.188
R-free	0.21100 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1gkp
RMSD bond length	0.006
RMSD bond angle	1.540 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.690
High resolution limit [Å]	2.600	2.600
Rmerge	0.117	0.363
Total number of observations	416020 *
Number of reflections	70394
<I/σ(I)>	12	4.9
Completeness [%]	99.9 *	99.9
Redundancy	5.9	5.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	6.5		30% (W/V) PEG 6000, 100 MM CACODYLATE/HCL PH 6.5, 200 MM SODIUM ACETATE

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG6000	26 (%)
2	1	reservoir	cacodylate	100 (mM)	pH6.5
3	1	reservoir	sodium acetate	200 (mM)
4	1	drop	protein	10 (mg/ml)