6EUM
CRYSTAL STRUCTURE OF BCII METALLO-BETA-LACTAMASE IN COMPLEX WITH DZ-307
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-02-11 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.95000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 53.180, 61.440, 70.180 |
| Unit cell angles | 90.00, 93.20, 90.00 |
Refinement procedure
| Resolution | 19.529 - 1.180 |
| R-factor | 0.1289 |
| Rwork | 0.128 |
| R-free | 0.15110 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4tyt |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.500 | 1.210 |
| High resolution limit [Å] | 1.180 | 1.180 |
| Rmerge | 0.090 | 2.489 |
| Rmeas | 0.101 | 2.642 |
| Rpim | 0.025 | 0.631 |
| Number of reflections | 72015 | 5168 |
| <I/σ(I)> | 14.1 | 1.1 |
| Completeness [%] | 97.5 | 94.9 |
| Redundancy | 16.5 | 17 |
| CC(1/2) | 0.999 | 0.563 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 1MM TCEP, 5MM DZ-307, 50MM HEPES pH7.5, 100MM NACL, 0.1MM ZNCL2, 0.1M MAGNESIUM FORMATE, 25% PEG 3350 |
