1GKP

D-Hydantoinase (Dihydropyrimidinase) from Thermus sp. in space group C2221

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE BW7B
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	BW7B
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2000-08-24
Detector	MAR scanner 345 mm plate
Spacegroup name	C 2 2 21
Unit cell lengths	126.200, 215.900, 207.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.300 *
R-factor	0.15352
Rwork	0.153
R-free	0.18400 *
Structure solution method	MAD
RMSD bond length	0.022 *
RMSD bond angle	2.000 *
Data reduction software	DENZO (FOR INDEXING)
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.330
High resolution limit [Å]	1.300	1.300
Rmerge	0.031	0.425
Total number of observations	2976914 *
Number of reflections	693388
<I/σ(I)>	17.7	2.4
Completeness [%]	99.7	98
Redundancy	4.3	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	7.5		1.65 MM AMMONIUM SULPHATE, 100 MM HEPES/NAOH PH 7.5, 5% (V/V) PEG 400, CRYO-BUFFER: 2 M LITHIUM SULPHATE, 100 MM HEPES/NAOH PH 7.5, 5% (V/V) PEG 400

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	ammonium sulfate	1.65 (M)
2	1	reservoir	PEG400	5 (%)
3	1	reservoir	HEPES-NaOH	100 (mM)	pH7.5
4	1	drop	protein	4.5 (mg/ml)
5	1	drop	Se-Met-protein	10 (mg/ml)