6HZQ
Apo structure of TP domain from Escherichia coli Penicillin-Binding Protein 3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-04-24 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.98 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 91.870, 150.025, 43.053 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 78.350 - 1.950 |
| R-factor | 0.2734 |
| Rwork | 0.273 |
| R-free | 0.27953 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4bjp |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.605 |
| Data reduction software | xia2 |
| Data scaling software | autoPROC |
| Phasing software | MrBUMP |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 78.350 | 2.230 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmeas | 0.300 | |
| Number of reflections | 11868 | |
| <I/σ(I)> | 8 | |
| Completeness [%] | 88.1 | |
| Redundancy | 12.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 294 | 20% PEG 6,000, 0.1 M CaCl2, 15% ethylene glycol and 0.1 M TrisHCl pH 9 |
