2Q7O
Structure of human purine nucleoside phosphorylase in complex with L-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 | 2006-09-11 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.07200 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 143.457, 143.457, 166.248 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 34.540 - 2.900 |
| R-factor | 0.218 |
| Rwork | 0.216 |
| R-free | 0.26200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1rr6 |
| RMSD bond length | 0.033 |
| RMSD bond angle | 2.953 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.000 | 3.000 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.102 | 0.845 |
| Number of reflections | 14741 | |
| <I/σ(I)> | 7.5 | 1.4 |
| Completeness [%] | 99.9 | 99.3 |
| Redundancy | 8.8 | 6.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 298 | 1.8 M Ammonium dihydrogen phosphate, 100 mM sodium citrate, pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
