6HZH
Apo structure of TP domain from Chlamydia trachomatis penicillin-binding protein 3
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 | 2018-07-07 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.976 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 105.444, 105.444, 118.522 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 72.340 - 1.830 |
| R-factor | 0.20072 |
| Rwork | 0.198 |
| R-free | 0.24226 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ye5 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.226 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | MrBUMP |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 72.340 | 2.040 |
| High resolution limit [Å] | 1.830 | 1.830 |
| Rmeas | 0.120 | |
| Number of reflections | 45711 | |
| <I/σ(I)> | 13.9 | |
| Completeness [%] | 93.9 | |
| Redundancy | 10.8 |
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 |
