6N9K
Beta-lactamase from Escherichia coli str. Sakai
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2018-10-19 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 63 |
| Unit cell lengths | 127.929, 127.929, 93.020 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.640 - 1.600 |
| R-factor | 0.1384 |
| Rwork | 0.138 |
| R-free | 0.15570 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5ggw |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.672 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | REFMAC (5.8.0232) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.640 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.063 | 0.610 |
| Rmeas | 0.066 | 0.701 |
| Rpim | 0.021 | 0.337 |
| Number of reflections | 112960 | 5360 |
| <I/σ(I)> | 13.1 | 1.54 |
| Completeness [%] | 99.7 | 95.2 |
| Redundancy | 9 | 3.9 |
| CC(1/2) | 0.687 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 289 | 0.2 M Lithium Sulfate, 30% PEG 8000, 0.1 M Sodium Acetate:Acetic Acid buffer |
