7YXZ
Crystal structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with Coenzyme A
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 PILATUS 6M |
| Wavelength(s) | 0.9686 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 76.365, 125.542, 118.577 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 65.243 - 1.779 |
| R-factor | 0.1872 |
| Rwork | 0.186 |
| R-free | 0.21770 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5o06 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.079 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.1) |
| Phasing software | PHASER (2.5.6) |
| Refinement software | PHENIX (1.9) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 118.580 | 118.580 | 2.180 |
| High resolution limit [Å] | 1.779 | 3.080 | 1.780 |
| Rmerge | 0.056 | 0.026 | 0.334 |
| Rmeas | 0.061 | 0.029 | 0.362 |
| Rpim | 0.023 | 0.011 | 0.139 |
| Total number of observations | 70253 | 165482 | |
| Number of reflections | 54888 | 10854 | 24767 |
| <I/σ(I)> | 21.2 | 58 | 5.2 |
| Completeness [%] | 100.0 | 99.9 | 100 |
| Redundancy | 6.7 | 6.5 | 6.7 |
| CC(1/2) | 0.999 | 0.999 | 0.975 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 292 | 0.2 M Sodium bromide, 20-24 % PEG3350, 0.1 M Bis-Tris propane pH 7.0 |
