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 |