2IWB
MecR1 unbound extracellular antibiotic-sensor domain.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM16 |
| Synchrotron site | ESRF |
| Beamline | BM16 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 57.560, 80.790, 58.880 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.600 - 1.800 |
| R-factor | 0.162 |
| Rwork | 0.160 |
| R-free | 0.20300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1xa1 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.647 |
| 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] | 47.600 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.040 | 0.180 |
| Number of reflections | 26121 | |
| <I/σ(I)> | 31.6 | 10.5 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 7.1 | 7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | EQUIVOLUMETRIC HANGING DROPS CONSISTING OF 1.8M TRIBASIC AMMONIUM CITRATE AT PH7.0 AND PROTEIN SOLUTION AT 6.8MG/ML RENDERED CRYSTALS OF UNBOUND MECR1-PBD AT 20 DEGREES., pH 7.00 |
