1DJ0

THE CRYSTAL STRUCTURE OF E. COLI PSEUDOURIDINE SYNTHASE I AT 1.5 ANGSTROM RESOLUTION

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	95
Detector technology	IMAGE PLATE
Collection date	1996-08-25
Detector	RIGAKU RAXIS IV
Spacegroup name	P 1 21 1
Unit cell lengths	68.080, 37.400, 103.480
Unit cell angles	90.00, 97.68, 90.00

Refinement procedure

Resolution	38.000 - 1.500
R-factor	0.162
Rwork	0.167
R-free	0.22100
RMSD bond length	0.011 *
RMSD bond angle	2.367 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASES
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.000	1.530
High resolution limit [Å]	1.500	1.500
Rmerge	0.080	0.350
Total number of observations	244026 *
Number of reflections	79453
<I/σ(I)>	7.8
Completeness [%]	95.2	92.3
Redundancy	3.07	2.43

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICRODIALYSIS	7.5 *	298	MES BUFFER, pH 6.5, MICRODIALYSIS, temperature 298K
1	MICRODIALYSIS	7.5 *	298	MES BUFFER, pH 6.5, MICRODIALYSIS, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	protein	1-2 (mg/ml)
2	1	1	HEPES	20 (mM)
3	1	1		150 (mM)
4	1	2	MES	20 (mM)