5O06
Crystal structure of APO form of Phosphopantetheine adenylyltransferase from Mycobacterium abcessus
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 | 2015-03-07 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9795 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 75.867, 124.503, 118.567 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 56.853 - 1.547 |
| R-factor | 0.1987 |
| Rwork | 0.198 |
| R-free | 0.21350 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3rhs |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.971 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.17) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 56.850 | 56.850 | 1.630 |
| High resolution limit [Å] | 1.550 | 4.890 | 1.550 |
| Rmerge | 0.034 | 0.018 | 0.512 |
| Rmeas | 0.036 | 0.019 | 0.563 |
| Rpim | 0.012 | 0.006 | 0.227 |
| Total number of observations | 660031 | 23411 | 66709 |
| Number of reflections | 79696 | ||
| <I/σ(I)> | 28.4 | 97.2 | 2.6 |
| Completeness [%] | 97.2 | 99.8 | 98.5 |
| Redundancy | 8.3 | 8.4 | 5.7 |
| CC(1/2) | 1.000 | 1.000 | 0.903 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 291 | 200mM Sodium fluoride 20% PEG3350 0.1MBis-Tris propane pH6.5 |
