3ZVT
Unexpected tricovalent binding mode of boronic acids within the active site of a penicillin binding protein
Replaces: 2Y5RExperimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM30A |
| Synchrotron site | ESRF |
| Beamline | BM30A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | MARRESEARCH SX-165 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 103.993, 92.227, 107.044 |
| Unit cell angles | 90.00, 94.43, 90.00 |
Refinement procedure
| Resolution | 35.830 - 3.100 |
| R-factor | 0.20537 |
| Rwork | 0.203 |
| R-free | 0.25410 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2xdm |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.232 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.830 | 3.270 |
| High resolution limit [Å] | 3.100 | 3.100 |
| Rmerge | 0.130 | 0.400 |
| Number of reflections | 35205 | |
| <I/σ(I)> | 9.7 | 2.5 |
| Completeness [%] | 95.9 | 94.3 |
| Redundancy | 3.4 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
