6FMW
IMISX-EP of Hg-BacA cocrystallization
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-10-23 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.9 |
| Spacegroup name | C 2 2 2 |
| Unit cell lengths | 114.060, 145.130, 39.990 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.536 - 2.600 |
| R-factor | 0.2256 |
| Rwork | 0.224 |
| R-free | 0.25430 |
| Structure solution method | SAD |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.640 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | SHELXCD |
| Refinement software | PHENIX ((1.13rc1_2954: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.536 | 2.670 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmeas | 0.380 | 2.000 |
| Number of reflections | 19671 | 1467 |
| <I/σ(I)> | 8.95 | 1.96 |
| Completeness [%] | 99.0 | 99 |
| Redundancy | 20.7 | 15.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 293 | 40 % PEG-400, 0.3-0.5 M ammonium citrate dibasic and 0.1 M sodium citrate pH 5.0 |
