3ZVW
Unexpected tricovalent binding mode of boronic acids within the active site of a penicillin binding protein
Replaces: 2Y5OExperimental 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 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 103.748, 91.365, 107.332 |
| Unit cell angles | 90.00, 94.63, 90.00 |
Refinement procedure
| Resolution | 34.590 - 2.000 |
| R-factor | 0.18142 |
| Rwork | 0.179 |
| R-free | 0.22712 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2xdm |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.220 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.730 | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.110 | 0.480 |
| Number of reflections | 134070 | |
| <I/σ(I)> | 11 | 2.5 |
| Completeness [%] | 99.5 | 99 |
| Redundancy | 3.6 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
