5O08
Crystal structure of Phosphopantetheine adenylyltransferase from Mycobacterium abcessus in complex with Dephospho-coenzyme A
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 | 2017-03-12 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 76.046, 124.828, 116.189 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.299 - 1.552 |
| R-factor | 0.2 |
| Rwork | 0.199 |
| R-free | 0.22800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5o06 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.101 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.31) |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 64.940 | 64.940 | 1.640 |
| High resolution limit [Å] | 1.550 | 4.910 | 1.550 |
| Rmerge | 0.047 | 0.025 | 0.787 |
| Rmeas | 0.051 | 0.027 | 0.844 |
| Rpim | 0.019 | 0.010 | 0.302 |
| Total number of observations | 588063 | 19161 | 86665 |
| Number of reflections | 78718 | ||
| <I/σ(I)> | 19.3 | 56.6 | 2.3 |
| Completeness [%] | 98.6 | 99.8 | 99.8 |
| Redundancy | 7.5 | 7.1 | 7.5 |
| CC(1/2) | 0.999 | 0.999 | 0.800 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 200mM Sodium fluoride 0.1M Bis-Tris propane pH 6.5 20% PEG3350 |
