7PEI
Crystal Structure of a Class D carbapenemase_E185A/R186A/R206A
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U1 |
| Synchrotron site | SSRF |
| Beamline | BL17U1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2020-06-26 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.979150 |
| Spacegroup name | P 62 |
| Unit cell lengths | 146.186, 146.186, 54.887 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.690 - 1.900 |
| Rwork | 0.177 |
| R-free | 0.21120 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4s2p |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.583 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.690 | 1.940 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Number of reflections | 52999 | 3549 |
| <I/σ(I)> | 16.1 | 1 |
| Completeness [%] | 99.9 | |
| Redundancy | 20.6 | |
| CC(1/2) | 0.999 | 0.726 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 291 | 0.2M LiSO4, 21% PEG3350 |
