2QPL

Crystal structure of calf spleen purine nucleoside phosphorylase complexed to a novel purine analogue

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX14.2
Synchrotron site	SRS
Beamline	PX14.2
Temperature [K]	100
Detector technology	CCD
Collection date	2002-03-27
Detector	ADSC QUANTUM 4
Wavelength(s)	0.98
Spacegroup name	P 21 3
Unit cell lengths	93.442, 93.442, 93.442
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.730 - 2.100
R-factor	0.17015
Rwork	0.168
R-free	0.21759
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1a9r
RMSD bond length	0.016
RMSD bond angle	1.492
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	66.074	53.950	2.210
High resolution limit [Å]	2.100	6.640	2.100
Rmerge	0.078	0.050	0.210
Number of reflections	15761
<I/σ(I)>	7.5	10.1	3.2
Completeness [%]	97.3	98.5	84.2
Redundancy	4.9	4.8	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8	291	31-35% PEG-400 IN 100 MM HEPES OR TRIS BUFFER, PH 7.8-8.2; 100 MM MGCL2; 1% OCTYL-BETA-D-GLUCOPYRANOSIDE , pH 8.0, VAPOR DIFFUSION, temperature 291K