1RR6
Structure of human purine nucleoside phosphorylase in complex with Immucillin-H and phosphate
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 | 2002-10-29 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.98 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 142.351, 142.351, 167.665 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 2.500 |
| R-factor | 0.247 |
| Rwork | 0.243 |
| R-free | 0.28400 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1rsz |
| 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 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Number of reflections | 20670 | |
| <I/σ(I)> | 27.9 | 3.6 |
| Completeness [%] | 91.0 | 93.9 |
| Redundancy | 8.6 | 6.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 298 | 1.8 M ammonium dihydrogen phosphate. 100 mM sodium citrate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
