3ODG
crystal structure of xanthosine phosphorylase bound with xanthine from Yersinia pseudotuberculosis
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 | 2009-10-09 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0750 |
| Spacegroup name | P 63 |
| Unit cell lengths | 96.470, 96.470, 48.906 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.240 - 1.640 |
| R-factor | 0.15689 |
| Rwork | 0.155 |
| R-free | 0.18727 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1yqq |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.448 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP (10.2.23) |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.240 | 1.700 |
| High resolution limit [Å] | 1.640 | 1.640 |
| Rmerge | 0.096 | 0.562 |
| Number of reflections | 31056 | |
| <I/σ(I)> | 24.7 | 3.1 |
| Completeness [%] | 97.2 | 81.1 |
| Redundancy | 11.7 | 10.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 0.1M Tris-HCl PH 8.5, 0.2M Sodium Acetate, 30% PEG4000, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
