8VDA
Crystal structure of Bacillus subtilis FabHA-coenzyme A complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2019-12-16 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 60.610, 60.610, 153.400 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.280 - 2.020 |
| R-factor | 0.1917 |
| Rwork | 0.187 |
| R-free | 0.23080 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 0.997 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.1_4122) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 76.700 | 2.070 |
| High resolution limit [Å] | 2.020 | 2.020 |
| Rmerge | 0.032 | 0.447 |
| Rmeas | 0.035 | 0.503 |
| Number of reflections | 19511 | 1349 |
| <I/σ(I)> | 34.85 | 3.22 |
| Completeness [%] | 99.7 | 97.1 |
| Redundancy | 7.63 | 4.71 |
| CC(1/2) | 1.000 | 0.836 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293.15 | 50% PEG400, 0.2 mM NaCl, 0.1 M CHES, pH 9.5 |
