3G5I
Crystal Structure of the E.coli RihA pyrimidine nucleosidase bound to a iminoribitol-based inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-04-22 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.933 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 84.350, 82.910, 93.870 |
| Unit cell angles | 90.00, 112.15, 90.00 |
Refinement procedure
| Resolution | 37.500 - 2.100 |
| R-factor | 0.20477 |
| Rwork | 0.203 |
| R-free | 0.24093 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1yoe |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.616 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 2.150 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Number of reflections | 68457 | |
| <I/σ(I)> | 8.12 | 3 |
| Completeness [%] | 97.2 | 95.4 |
| Redundancy | 3.4 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 293 | 0.1M Sodium Acetate, 25% PEG 4000, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
