8QIX
Structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-01-09 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9121 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 75.443, 124.053, 118.267 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 64.459 - 1.579 |
| R-factor | 0.2122 |
| Rwork | 0.211 |
| R-free | 0.22970 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.025 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 64.460 | 1.660 |
| High resolution limit [Å] | 1.579 | 1.580 |
| Rmerge | 0.098 | 3.286 |
| Rmeas | 0.103 | 3.454 |
| Rpim | 0.032 | 1.059 |
| Total number of observations | 115533 | |
| Number of reflections | 76170 | 10995 |
| <I/σ(I)> | 14.7 | 0.8 |
| Completeness [%] | 100.0 | |
| Redundancy | 10.4 | 10.5 |
| CC(1/2) | 0.999 | 0.372 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 292 | 0.2 M Sodium bromide, 24% PEG3350, 0.1 M Bis-Tris propane pH 7.5 |
