6H59
Crystal structure of Mycobacterium tuberculosis phosphatidylinositol phosphate synthase (PgsA1) with CDP-DAG bound
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 | 2016-07-21 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 97.986, 115.080, 45.472 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.620 - 1.800 |
| R-factor | 0.197 |
| Rwork | 0.196 |
| R-free | 0.22900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6h53 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.124 |
| Data reduction software | XDS |
| Data scaling software | xia2 |
| Phasing software | PHASER (2.5.6) |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 74.610 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.175 | |
| Number of reflections | 48544 | |
| <I/σ(I)> | 7.5 | 1.7 |
| Completeness [%] | 99.4 | 98.6 |
| Redundancy | 12.8 | 12.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 6 | 295 | 33% PEG 400 (v/v), 0.1 M NaCl, 0.1 M Bis-Tris pH 6, and 0.1 M MgSO4 |
