1V48
Calf spleen purine nucleoside phosphorylase (PNP) binary complex with 9-(5,5-difluoro-5-phosphonopenthyl)guanine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE X13 |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | X13 |
Temperature [K] | 277 |
Detector technology | CCD |
Collection date | 2000-09-13 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.913 |
Spacegroup name | P 21 3 |
Unit cell lengths | 93.183, 93.183, 93.183 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.200 |
R-factor | 0.196 |
Rwork | 0.191 |
R-free | 0.24200 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1fxu |
RMSD bond length | 0.006 |
RMSD bond angle | 1.300 |
Data reduction software | TRUNCATE |
Data scaling software | SCALEPACK |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.280 |
High resolution limit [Å] | 2.200 | 2.200 |
Number of reflections | 13902 | |
Completeness [%] | 99.7 | 99.9 |
Redundancy | 7.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.75 | 291 | PEG 4000, Hepes, magnesium chloride, pH 7.75, VAPOR DIFFUSION, HANGING DROP, temperature 291K |