1BRW

THE CRYSTAL STRUCTURE OF PYRIMIDINE NUCLEOSIDE PHOSPHORYLASE IN A CLOSED CONFORMATION

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE A1
Synchrotron site	CHESS
Beamline	A1
Temperature [K]	108
Detector technology	CCD
Collection date	1997-02-15
Detector	ADSC
Spacegroup name	P 1 21 1
Unit cell lengths	53.570, 70.450, 122.780
Unit cell angles	90.00, 98.02, 90.00

Refinement procedure

Resolution	30.000 - 2.100
R-factor	0.232
Rwork	0.232
R-free	0.27600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2tpt
RMSD bond length	0.007
RMSD bond angle	1.200
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	X-PLOR (3.8)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000
High resolution limit [Å]	2.000	2.000 *
Rmerge	0.067 *	0.232 *
Total number of observations	396276 *
Number of reflections	55716
Completeness [%]	88.4	41.7 *
Redundancy	2.9	1.6 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7 *		Zhou, M., (1998) Acta Cryst., D55, 287. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	potassium phosphate	10 (mM)
2	1	drop	protein	10 (mg/ml)
3	1	reservoir	ammonium sulfate	15 (%)
4	1	reservoir	citrate	50 (mM)
5	1	reservoir	dithiothreitol	4 (mM)