7S0V
The role of an Asp-Asp pair in the structure, function and inhibition of CTX-M Class A Beta-lactamase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2020-12-02 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 41.620, 41.620, 231.162 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 38.527 - 1.950 |
| R-factor | 0.196 |
| Rwork | 0.189 |
| R-free | 0.25920 |
| Structure solution method | SAD |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA (3.3.22) |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 38.530 | 38.527 | 2.060 |
| High resolution limit [Å] | 1.950 | 6.170 | 1.950 |
| Rmerge | 0.057 | 0.070 | |
| Rmeas | 0.058 | 0.062 | 0.076 |
| Rpim | 0.022 | 0.023 | 0.027 |
| Total number of observations | 5751 | 17654 | |
| Number of reflections | 17809 | 693 | 2548 |
| <I/σ(I)> | 23.7 | 34.4 | 17.2 |
| Completeness [%] | 98.8 | 99.6 | 99.3 |
| Redundancy | 6.6 | 8.3 | 6.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.9 | 293 | 1M KP1 pH 7.9 |
