1RSZ
Structure of human purine nucleoside phosphorylase in complex with DADMe-Immucillin-H and sulfate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X9A |
| Synchrotron site | NSLS |
| Beamline | X9A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-09-09 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.98 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 142.162, 142.162, 166.387 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 2.200 |
| R-factor | 0.253 |
| Rwork | 0.250 |
| R-free | 0.27600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1b8o |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.400 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| 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 | 31845 | |
| <I/σ(I)> | 30.8 | 3.5 |
| Completeness [%] | 97.0 | 99.1 |
| Redundancy | 4.4 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 298 | 1.4 M ammonium sulfate and 100mM sodium citrate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
