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 |
