2JCH
Structural and mechanistic basis of penicillin binding protein inhibition by lactivicins
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-05-12 |
| Detector | MARRESEARCH |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 105.840, 143.580, 97.440 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 85.130 - 2.400 |
| R-factor | 0.206 |
| Rwork | 0.203 |
| R-free | 0.26200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2bg1 |
| RMSD bond length | 0.028 |
| RMSD bond angle | 2.398 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.900 | 2.600 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.090 | 0.430 |
| Number of reflections | 29294 | |
| <I/σ(I)> | 12.9 | 2.9 |
| Completeness [%] | 99.3 | 100 |
| Redundancy | 5.2 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 50 MM HEPES PH 7 3.2 M NACL 0.8 M AMMONIUM SULFATE |
