8QIY
Structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-01-19 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 76.307, 125.586, 119.243 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 65.210 - 1.515 |
| Rwork | 0.275 |
| R-free | 0.29930 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 65.210 | 1.600 |
| High resolution limit [Å] | 1.510 | 1.510 |
| Rmerge | 0.072 | 3.042 |
| Rmeas | 0.076 | 3.220 |
| Rpim | 0.025 | 1.048 |
| Total number of observations | 811948 | 119620 |
| Number of reflections | 88990 | 12895 |
| <I/σ(I)> | 14.1 | 0.7 |
| Completeness [%] | 100.0 | |
| Redundancy | 9.1 | 9.3 |
| CC(1/2) | 0.999 | 0.475 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 292 | 0.2M Sodium bromide, 24% PEG3350, 0.1 M Bis-Tris propane pH 6.5 |
