2OC4
Crystal structure of human purine nucleoside phosphorylase mutant H257D with Imm-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 | 2006-05-11 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.100 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 142.974, 142.974, 168.550 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.060 - 2.592 |
| R-factor | 0.207 |
| Rwork | 0.205 |
| R-free | 0.25200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1rr6 |
| RMSD bond length | 0.021 |
| RMSD bond angle | 2.219 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.690 |
| High resolution limit [Å] | 2.592 | 2.592 |
| Rmerge | 0.088 | 0.625 |
| Number of reflections | 20554 | |
| <I/σ(I)> | 7.1 | 1.2 |
| Completeness [%] | 99.3 | 94.6 |
| Redundancy | 6.9 | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 298 | 0.1 M Sodium Acetate, 4.0 M Ammonium Acetate, pH 4.6, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
