3K8Q
Crystal structure of human purine nucleoside phosphorylase in complex with SerMe-Immucillin H
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 | 2008-01-25 |
Detector | ADSC QUANTUM 315 |
Spacegroup name | H 3 2 |
Unit cell lengths | 142.968, 142.968, 168.548 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 50.000 - 2.500 |
R-factor | 0.224 |
Rwork | 0.222 |
R-free | 0.26200 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.016 |
RMSD bond angle | 1.624 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | REFMAC (5.5.0089) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.590 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.111 | 0.759 |
Number of reflections | 22843 | |
<I/σ(I)> | 11.5 | |
Completeness [%] | 99.9 | 100 |
Redundancy | 10.6 | 9.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5 | 291 | 0.1M sodium citrate, 2.55M ammonium phosphate, pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 291K |