7ZPV
Room temperature SSX crystal structure of CTX-M-14
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, DESY BEAMLINE P11 |
| Synchrotron site | PETRA III, DESY |
| Beamline | P11 |
| Temperature [K] | 295 |
| Detector technology | PIXEL |
| Collection date | 2018-12-11 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.033 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 42.160, 42.160, 234.350 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 17.770 - 1.400 |
| Rwork | 0.141 |
| R-free | 0.15610 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6gth |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.006 |
| Data reduction software | CrystFEL |
| Data scaling software | CrystFEL |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.17.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 17.770 | 1.420 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Number of reflections | 49225 | 4733 |
| <I/σ(I)> | 9.11 | 0.69 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 2217 | 1400 |
| CC(1/2) | 0.991 | 0.266 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 4.5 | 293 | 50% CTX-M-14 solution (22 mg/ml) was mixed with 45% precipitant solution (40% PEG8000, 200mM lithium sulfate, 100mM sodium acetate, pH 4.5) and with 5% undiluted seed stock in batch crystallization setups |
