4UX7
Structure of a Clostridium difficile sortase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-05-04 |
| Detector | DECTRIS PILATUS 2M |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 38.247, 90.273, 134.738 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 75.000 - 2.550 |
| R-factor | 0.19948 |
| Rwork | 0.196 |
| R-free | 0.26221 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | SWISS-MODELLER MODEL BASED ON PDB ENTRY 1RZ2 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.240 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.370 | 2.690 |
| High resolution limit [Å] | 2.550 | 2.550 |
| Rmerge | 0.150 | 0.520 |
| Number of reflections | 15902 | |
| <I/σ(I)> | 11.8 | 4.2 |
| Completeness [%] | 98.8 | 100 |
| Redundancy | 7.7 | 8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.2 | 0.1M PHOSPHATE-CITRATE PH 4.2, 40% PEG 300 |
