6X9Y
The crystal structure of a Beta-lactamase from Escherichia coli CFT073
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 | 2018-11-13 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97927 |
| Spacegroup name | P 63 |
| Unit cell lengths | 128.176, 128.176, 92.761 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.600 - 1.900 |
| R-factor | 0.162 |
| Rwork | 0.161 |
| R-free | 0.19800 |
| Structure solution method | SAD |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.154 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.600 | 1.930 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.084 | 0.715 |
| Rmeas | 0.091 | 0.770 |
| Rpim | 0.035 | 0.296 |
| Number of reflections | 68159 | 3396 |
| <I/σ(I)> | 27.58 | 2.12 |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 6.8 | 6.7 |
| CC(1/2) | 0.991 | 0.851 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 289 | 0.1 M Sodium Acetate, 0.1 M HEPES: NaOH, 25 % (w/v) PEG 4000, 0.2 M Lithium Sulfate |
