6OOE
CTX-M-27 Beta Lactamase with Compound 20
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2018-12-01 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.323, 107.482, 48.057 |
| Unit cell angles | 90.00, 101.72, 90.00 |
Refinement procedure
| Resolution | 34.270 - 1.260 |
| R-factor | 0.1454 |
| Rwork | 0.145 |
| R-free | 0.17190 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ua6 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.280 |
| High resolution limit [Å] | 1.260 | 1.260 |
| Rmerge | 0.106 | 0.674 |
| Number of reflections | 206742 | 5279 |
| <I/σ(I)> | 25.17 | |
| Completeness [%] | 99.8 | 94.9 |
| Redundancy | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.9 | 297 | 1.0 M potassium phosphate, pH 7.9 |
