6IA6
Crystal structure of the bacterial Dehalococcoides mccartyi Elp3 with desulfo-CoA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-12-03 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 73.540, 160.740, 92.990 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.305 - 2.700 |
| R-factor | 0.2254 |
| Rwork | 0.223 |
| R-free | 0.26850 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5l7l |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.491 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.770 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmeas | 0.141 | 2.099 |
| Number of reflections | 15372 | |
| <I/σ(I)> | 9.75 | |
| Completeness [%] | 99.0 | |
| Redundancy | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 295 | 100 mM MES, pH 6.3 and 4% PEG 4000 |
