2WYW
High resolution structure of Thermus thermophilus enoyl-acyl carrier protein reductase NAD and triclosan-form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X11 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2009-07-25 |
| Detector | MAR555 FLAT PANEL |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 57.710, 127.550, 66.500 |
| Unit cell angles | 90.00, 108.20, 90.00 |
Refinement procedure
| Resolution | 27.930 - 1.900 |
| R-factor | 0.1565 |
| Rwork | 0.155 |
| R-free | 0.19561 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2wyu |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.461 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0070) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.070 | 0.390 |
| Number of reflections | 65244 | |
| <I/σ(I)> | 10.5 | 2.9 |
| Completeness [%] | 91.2 | 82.1 |
| Redundancy | 3.5 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.4 | 32% (W/V) POLYETHYLENE GLYCOL 4000, 100 MM SODIUM CITRATE PH 5.4, 2 MM NAD, SOAKING FOR 48 HOURS IN 3.2 MM TRICLOSAN |
