8VKT
Crystallographic structure of dimetalated DapE from Enterococcus faecium
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 | 2023-03-10 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0. 97918 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 131.822, 44.914, 78.024 |
| Unit cell angles | 90.00, 104.28, 90.00 |
Refinement procedure
| Resolution | 42.372 - 1.398 |
| R-factor | 0.1549 |
| Rwork | 0.154 |
| R-free | 0.17620 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.484 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.700 | 1.470 |
| High resolution limit [Å] | 1.398 | 1.400 |
| Rmerge | 0.051 | 0.198 |
| Number of reflections | 84770 | 10322 |
| <I/σ(I)> | 18.2 | 5.6 |
| Completeness [%] | 96.7 | 81.4 |
| Redundancy | 6.5 | 5 |
| CC(1/2) | 0.990 | 0.970 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 100 MM SODIUM ACETATE, 8% PEG4000, PH 4.6 |
