5LD8
GSK3011724A cocrystallised with Mycobacterium tuberculosis H37Rv KasA
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 | 2015-01-16 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.917 |
| Spacegroup name | P 31 |
| Unit cell lengths | 77.338, 77.338, 147.675 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 66.990 - 2.130 |
| R-factor | 0.16253 |
| Rwork | 0.161 |
| R-free | 0.18561 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.803 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 66.990 | 2.380 |
| High resolution limit [Å] | 2.130 | 2.130 |
| Rmerge | 0.053 | 0.474 |
| Number of reflections | 54699 | |
| <I/σ(I)> | 16.9 | 3 |
| Completeness [%] | 98.6 | 97.3 |
| Redundancy | 4.3 | 4 |
| CC(1/2) | 0.998 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 8% w/w isopropanol, 0.2M NaCl, 10mM TCEP |
