5EW0
Crystal structure of the metallo-beta-lactamase Sfh-I in complex with the bisthiazolidine inhibitor L-CS319
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-01-24 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.97949 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 32.770, 86.700, 72.230 |
| Unit cell angles | 90.00, 90.09, 90.00 |
Refinement procedure
| Resolution | 19.420 - 1.300 |
| R-factor | 0.16159 |
| Rwork | 0.160 |
| R-free | 0.18863 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3sd9 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.569 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.420 | 1.320 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmerge | 0.118 | 0.521 |
| Number of reflections | 91618 | |
| <I/σ(I)> | 7.6 | 4.2 |
| Completeness [%] | 97.6 | 95.5 |
| Redundancy | 5.8 | 9.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2M sodium acetate, 27% w/v PEG 3350, pH 7.0 |
