2XO0
xpt-pbuX C74U Riboswitch from B. subtilis bound to 24-diamino-1,3,5- triazine identified by virtual screening
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-06-12 |
| Detector | ADSC CCD |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 130.923, 34.940, 42.074 |
| Unit cell angles | 90.00, 90.11, 90.00 |
Refinement procedure
| Resolution | 65.460 - 1.700 |
| R-factor | 0.21891 |
| Rwork | 0.216 |
| R-free | 0.27082 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2g9c |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.973 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 65.510 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.050 | 0.390 |
| Number of reflections | 21077 | |
| <I/σ(I)> | 26.8 | 3.1 |
| Completeness [%] | 96.8 | 93.5 |
| Redundancy | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 10MM K-HEPES PH 7.5, 25% PEG 3000, 12MM COHEX, 800MM AMMONIUM ACETATE |
