8QID
Structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with fragment
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-08-10 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9686 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 76.281, 125.363, 119.062 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 62.681 - 1.730 |
| Rwork | 0.214 |
| R-free | 0.24360 |
| 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] | 119.060 | 1.820 |
| High resolution limit [Å] | 1.730 | 1.730 |
| Rmerge | 0.238 | 1.005 |
| Rmeas | 0.255 | 1.073 |
| Rpim | 0.089 | 0.372 |
| Total number of observations | 470553 | 68378 |
| Number of reflections | 60242 | 8726 |
| <I/σ(I)> | 6.2 | 2.3 |
| Completeness [%] | 100.0 | |
| Redundancy | 7.8 | 7.8 |
| CC(1/2) | 0.979 | 0.762 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 292 | Sodium bromide, PEG3350, Bis-Tris propane pH 6.5 |
