6V3U
Crystal Structure of the NDM_FIM-1 like Metallo-beta-Lactamase from Erythrobacter litoralis in the Mono-Zinc Form
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 | 2016-11-15 |
| Detector | DECTRIS PILATUS3 X 6M |
| Wavelength(s) | 0.97914 |
| Spacegroup name | P 41 |
| Unit cell lengths | 80.043, 80.043, 72.502 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.610 - 2.000 |
| R-factor | 0.2039 |
| Rwork | 0.202 |
| R-free | 0.23850 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | The un-deposited structure of the same protein in the apo-form |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.836 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.131 | 0.884 |
| Number of reflections | 30109 | 1012 |
| <I/σ(I)> | 19.9 | 1.04 |
| Completeness [%] | 96.9 | 65.2 |
| Redundancy | 9.6 | 3.1 |
| CC(1/2) | 0.673 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 289 | 0.2 M ammonium sulfate, 0.1 M HEPES pH 7.5, 10 % (w/v) isopropanol |
