2A0Y

Structure of human purine nucleoside phosphorylase H257D mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2004-11-21
Detector	ADSC QUANTUM 315
Wavelength(s)	1.1
Spacegroup name	H 3 2
Unit cell lengths	142.467, 142.467, 166.029
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 2.280
R-factor	0.245
Rwork	0.243
R-free	0.26600
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1rsz
RMSD bond length	0.007
RMSD bond angle	1.300
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.360
High resolution limit [Å]	2.280	2.280
Number of reflections	29445
<I/σ(I)>	43.6	2.8
Completeness [%]	99.9	99.6
Redundancy	8.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	291	Na citrate, ammonium sulfate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 291K