9ENX
Enmetazobactam-Derived GES-1 Acyl-Enzyme
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-11-20 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.73379 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.804, 81.034, 71.551 |
| Unit cell angles | 90.00, 101.81, 90.00 |
Refinement procedure
| Resolution | 70.040 - 1.230 |
| R-factor | 0.1539 |
| Rwork | 0.152 |
| R-free | 0.19350 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.959 |
| Data reduction software | DIALS |
| Data scaling software | DIALS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 81.030 | 1.250 |
| High resolution limit [Å] | 1.230 | 1.230 |
| Rpim | 0.045 | 1.151 |
| Number of reflections | 138378 | 6614 |
| <I/σ(I)> | 8.1 | 0.3 |
| Completeness [%] | 99.8 | |
| Redundancy | 6.9 | |
| CC(1/2) | 0.997 | 0.314 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.6 | 292.15 | 20 mM HEPES pH 7.6, 10% PEG8000, 10% PEG10000 |
