6I1F
Crystal structure of TP domain from Chlamydia trachomatis Penicillin-Binding Protein 3 in complex with amoxicillin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-07-13 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 106.226, 106.226, 118.554 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 91.990 - 1.890 |
| R-factor | 0.21123 |
| Rwork | 0.209 |
| R-free | 0.24609 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6hzh |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.311 |
| Data reduction software | XDS |
| Data scaling software | autoPROC |
| Phasing software | MrBUMP |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 91.990 | 2.110 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmeas | 0.283 | |
| Number of reflections | 42354 | |
| <I/σ(I)> | 10.4 | |
| Completeness [%] | 93.4 | |
| Redundancy | 12.1 |
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 |
