6LBL
Crystal structure of IMP-1 metallo-beta-lactamase in complex with NO9 inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AichiSR BEAMLINE BL2S1 |
| Synchrotron site | AichiSR |
| Beamline | BL2S1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-03-17 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.12 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 35.920, 56.610, 100.620 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.386 - 1.680 |
| Rwork | 0.158 |
| R-free | 0.20800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5ev6 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.528 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 56.610 | 1.770 |
| High resolution limit [Å] | 1.680 | 1.680 |
| Rmerge | 0.067 | 0.281 |
| Number of reflections | 24088 | 3462 |
| <I/σ(I)> | 18.9 | |
| Completeness [%] | 99.7 | 99.9 |
| Redundancy | 8.8 | 8.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 30% PEG 3350, 0.2M sodium acetate, 0.1M HEPES |
