7YWM
Crystal structure of Mycobacterium abcessus Phosphopantetheine adenylyltransferase in complex with ATP
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 | 75.827, 125.134, 119.083 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 64.850 - 1.624 |
| R-factor | 0.1876 |
| Rwork | 0.186 |
| R-free | 0.21050 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5o06 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.242 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.26) |
| Phasing software | PHASER (2.5.7) |
| Refinement software | PHENIX (1.9) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 119.080 | 119.080 | 1.710 |
| High resolution limit [Å] | 1.620 | 5.140 | 1.620 |
| Rmerge | 0.092 | 0.074 | 0.728 |
| Rmeas | 0.100 | 0.080 | 0.794 |
| Rpim | 0.036 | 0.030 | 0.311 |
| Total number of observations | 503579 | 17161 | 63335 |
| Number of reflections | 71526 | 2436 | 10307 |
| <I/σ(I)> | 11.7 | 23.8 | 2.3 |
| Completeness [%] | 100.0 | 99.8 | 100 |
| Redundancy | 7 | 7 | 6.1 |
| CC(1/2) | 0.996 | 0.994 | 0.821 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 292 | 200mM Sodium bromide 20-25% PEG3350 0.1M Bis-Tris propane pH 6.5 |
