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 |