6HZJ
Apo structure of TP domain from clinical penicillin-resistant mutant Neisseria gonorrhoea strain 6140 Penicillin-Binding Protein 2 (PBP2)
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 | 2018-02-05 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.645, 77.594, 81.866 |
| Unit cell angles | 90.00, 98.61, 90.00 |
Refinement procedure
| Resolution | 56.010 - 1.430 |
| R-factor | 0.27874 |
| Rwork | 0.278 |
| R-free | 0.30149 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4u3t |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.264 |
| Data reduction software | xia2 |
| Data scaling software | XSCALE |
| Phasing software | MrBUMP |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 56.010 | 1.450 |
| High resolution limit [Å] | 1.430 | 1.430 |
| Rmeas | 0.189 | |
| Number of reflections | 115424 | 5082 |
| <I/σ(I)> | 4.6 | |
| Completeness [%] | 96.1 | |
| Redundancy | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 294 | 1 M sodium citrate and 0.1 M sodium cacodylate pH 6.5 |
