6WHF
class C beta-lactamase from Escherichia coli in complex with cephalothin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-04-19 |
| Detector | DECTRIS PILATUS3 X 6M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 155.185, 46.298, 108.854 |
| Unit cell angles | 90.00, 116.58, 90.00 |
Refinement procedure
| Resolution | 48.670 - 1.400 |
| R-factor | 0.1638 |
| Rwork | 0.163 |
| R-free | 0.18070 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6wa7 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.870 |
| Data reduction software | HKL-3000 |
| Data scaling software | SCALEPACK |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.420 |
| High resolution limit [Å] | 1.400 | 3.800 | 1.400 |
| Rmerge | 0.076 | 0.061 | 0.334 |
| Rmeas | 0.083 | 0.067 | 0.364 |
| Rpim | 0.033 | 0.027 | 0.141 |
| Total number of observations | 839925 | ||
| Number of reflections | 133142 | 6947 | 6510 |
| <I/σ(I)> | 11.7 | ||
| Completeness [%] | 97.5 | 97.8 | 96.5 |
| Redundancy | 6.3 | 6.2 | 6.3 |
| CC(1/2) | 0.992 | 0.949 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 289 | 0.1M HEPES, 10% 2-propanol, 20% PEG4000 |
