4XQJ
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 | 2013-07-07 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.95372 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 91.030, 92.870, 45.150 |
| Unit cell angles | 90.00, 98.59, 90.00 |
Refinement procedure
| Resolution | 35.020 - 1.900 |
| R-factor | 0.18931 |
| Rwork | 0.188 |
| R-free | 0.22475 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3bs1 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.365 |
| Data reduction software | SCALA |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.020 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.662 | |
| Number of reflections | 29281 | |
| <I/σ(I)> | 12.6 | 2.1 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 4.4 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | 0.05M Calcium chloride dihydrate 0.1M MES monohydrate pH 6.0 45% PEG 200 |
