2IWC
Benzylpenicilloyl-acylated MecR1 extracellular antibiotic-sensor domain.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC CCD |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 58.400, 58.400, 148.050 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.100 |
| R-factor | 0.189 |
| Rwork | 0.187 |
| R-free | 0.23400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2iwb |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.328 |
| Data reduction software | XDS |
| Data scaling software | COMBAT |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.800 | 2.210 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.100 | 0.610 |
| Number of reflections | 15723 | |
| <I/σ(I)> | 17 | 3.6 |
| Completeness [%] | 99.7 | 98.3 |
| Redundancy | 7.6 | 7.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 1.8M TRIBASIC AMMONIUM CITRATE AT PH6.5, pH 6.50 |
