4XQQ
Crystal structure of AgrA LytTR domain in complex with promoters
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-07-07 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.97625 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 79.020, 145.600, 62.100 |
| Unit cell angles | 90.00, 93.09, 90.00 |
Refinement procedure
| Resolution | 62.010 - 3.050 |
| R-factor | 0.26347 |
| Rwork | 0.261 |
| R-free | 0.30501 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.242 |
| Data reduction software | SCALA |
| Data scaling software | SCALA |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.8.0107) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 62.010 | 3.260 |
| High resolution limit [Å] | 3.050 | 3.050 |
| Rmerge | 0.825 | |
| Number of reflections | 13297 | |
| <I/σ(I)> | 6.9 | 1.34 |
| Completeness [%] | 99.3 | 99.4 |
| Redundancy | 3.8 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | 6% Tacsimate, 0.1M MES monohydrate pH 6.0, 25% PEG 4000 |
