3PHB

Crystal Structure of human purine nucleoside phosphorylase in complex with DADMe-ImmG

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	2010-04-23
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0809
Spacegroup name	C 1 2 1
Unit cell lengths	269.270, 52.632, 128.119
Unit cell angles	90.00, 90.33, 90.00

Refinement procedure

Resolution	19.910 - 2.300
R-factor	0.23327
Rwork	0.230
R-free	0.29485
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.566
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	20.000	20.000	2.380
High resolution limit [Å]	2.300	4.930	2.300
Rmerge	0.093	0.047	0.638
Number of reflections	80450
<I/σ(I)>	9.1
Completeness [%]	99.3	99.9	94.9
Redundancy	3.9	3.9	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	291	0.2M ammonium phosphate, 0.1M Tris, 25% PEG 3350, pH 8.5, vapor diffusion, sitting drop, temperature 291K