1K0C

Ure2p in complex with S-p-nitrobenzylglutathione

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2000-09-04
Detector	MARRESEARCH
Wavelength(s)	0.934
Spacegroup name	P 21 21 21
Unit cell lengths	54.736, 123.214, 168.182
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.500
R-factor	0.214 *
Rwork	0.214
R-free	0.26700
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.230
Data reduction software	DENZO
Data scaling software	CCP4 ((SCALA))
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.600
High resolution limit [Å]	2.500	2.500
Rmerge	0.080 *
Total number of observations	390942 *
Number of reflections	38381
<I/σ(I)>	7.4
Completeness [%]	94.0	93.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	298	Bousset, L., (2001) Structure, 9, 39. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	5 (mg/ml)
2	1	reservoir	PEG1000	30 (%)
3	1	reservoir		160 (mM)
4	1	reservoir	Tris	100 (mM)