2XNZ
xpt-pbuX C74U Riboswitch from B. subtilis bound to acetoguanamine 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 | 2009-11-06 |
| Detector | ADSC QUANTUM 210 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 132.165, 35.068, 41.798 |
| Unit cell angles | 90.00, 90.06, 90.00 |
Refinement procedure
| Resolution | 66.080 - 1.590 |
| R-factor | 0.19968 |
| Rwork | 0.198 |
| R-free | 0.23424 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2g9c |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.546 |
| 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] | 66.080 | 1.660 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.040 | 0.400 |
| Number of reflections | 25334 | |
| <I/σ(I)> | 30.2 | 2.9 |
| Completeness [%] | 98.5 | 98.1 |
| Redundancy | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 10MM K-HEPES PH 7.5, 12MM COBALT HEXAMMINE, 800MM AMMONIUM ACETATE, 25% PEG 4000 |
