6MU9
Beta-lactamase penicillinase from Bacillus megaterium
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 | 2018-10-14 |
| Detector | DECTRIS PILATUS3 X 6M |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 1 |
| Unit cell lengths | 35.307, 42.094, 48.542 |
| Unit cell angles | 97.73, 105.52, 113.34 |
Refinement procedure
| Resolution | 45.010 - 0.970 |
| R-factor | 0.1017 |
| Rwork | 0.101 |
| R-free | 0.11120 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2x71 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.490 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 45.010 | 50.000 | 0.990 |
| High resolution limit [Å] | 0.970 | 2.630 | 0.970 |
| Rmerge | 0.037 | 0.033 | 0.222 |
| Rmeas | 0.043 | 0.038 | 0.263 |
| Rpim | 0.022 | 0.020 | 0.140 |
| Number of reflections | 108453 | 6461 | 1700 |
| <I/σ(I)> | 12.7 | 9.1 | |
| Completeness [%] | 76.9 | 91.6 | 24.1 |
| Redundancy | 3.8 | 3.8 | 3.4 |
| CC(1/2) | 0.997 | 0.931 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 289 | 0.1 M Bis-Tris:HCl buffer, 25% PEG 3350 |
