6QYG
4'-phosphopantetheinyl transferase PptAb from Mycobacterium abscessus at pH 8.5 with Mg2+ and CoA.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-06-16 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.972422 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 55.422, 60.334, 66.078 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.460 - 1.600 |
| R-factor | 0.1807 |
| Rwork | 0.181 |
| R-free | 0.19560 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4u89 |
| Data reduction software | TRUNCATE |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.460 | 1.657 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Number of reflections | 29270 | 2856 |
| <I/σ(I)> | 13.5 | |
| Completeness [%] | 98.0 | |
| Redundancy | 5.5 | |
| CC(1/2) | 0.998 | 0.797 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 285 | 0.1 M TRIS 30 % PEG 4K 0.2 M MgCl2 |
