6NJ1
Crystal structure of class A beta-lactamase from Clostridium kluyveri DSM 555
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 | 2018-12-09 |
| Detector | DECTRIS PILATUS3 X 6M |
| Wavelength(s) | 0.97926 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 66.878, 66.878, 119.795 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.197 - 1.399 |
| R-factor | 0.1249 |
| Rwork | 0.123 |
| R-free | 0.15120 |
| Structure solution method | SAD |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.220 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX ((dev_2947: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.420 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.099 | 1.676 |
| Number of reflections | 118279 | 3040 |
| <I/σ(I)> | 24.627 | 1.332 |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 9.6 | 7.1 |
| CC(1/2) | 0.709 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4 | 277 | 1 M LiCl, 0.1 M sodium citrate pH 4.0, 20% PEG6000, cryo 15% glycerol |
