2UWX
Active site restructuring regulates ligand recognition in class A penicillin-binding proteins
Replaces: 2BG3Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM30A |
| Synchrotron site | ESRF |
| Beamline | BM30A |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Detector | MARRESEARCH |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 97.520, 148.650, 98.020 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 81.650 - 2.390 |
| R-factor | 0.168 |
| Rwork | 0.162 |
| R-free | 0.21800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2bg1 |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.753 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.500 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.070 | 0.310 |
| Number of reflections | 25660 | |
| <I/σ(I)> | 25.6 | 4.8 |
| Completeness [%] | 99.9 | 99 |
| Redundancy | 4 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 50 MM HEPES PH7 0.8 M AMMONIUM SULFATE 2.8 M SODIUM CHLORIDE, pH 7.00 |
