3K8O
Crystal structure of human purine nucleoside phosphorylase in complex with DATMe-ImmH
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 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9792 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 269.212, 51.875, 129.069 |
| Unit cell angles | 90.00, 90.44, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.400 |
| R-factor | 0.226 |
| Rwork | 0.223 |
| R-free | 0.27200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.432 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.5.0070) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 20.000 | 20.000 | 2.490 |
| High resolution limit [Å] | 2.400 | 5.140 | 2.400 |
| Rmerge | 0.090 | 0.041 | 0.588 |
| Number of reflections | 70268 | ||
| <I/σ(I)> | 9.8 | ||
| Completeness [%] | 99.7 | 99.9 | 99.7 |
| Redundancy | 3.7 | 3.6 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | 0.1M HEPES, 0.2 M Lithium sulfate, 25% PEG 3350, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
