9FP4
FGD2 (Rv0132c) from Mycobacterium tuberculosis crystallised with Anderson-Evans polyoxotungstate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 99 |
| Detector technology | PIXEL |
| Collection date | 2022-12-03 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 89.856, 92.161, 100.279 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 54.126 - 1.450 |
| Rwork | 0.115 |
| R-free | 0.14630 |
| Structure solution method | SAD |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.912 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | CRANK2 |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 54.150 | 1.470 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmerge | 0.165 | |
| Rmeas | 0.172 | 1.339 |
| Rpim | 0.047 | 0.475 |
| Number of reflections | 144578 | 5810 |
| <I/σ(I)> | 11.4 | 1.4 |
| Completeness [%] | 97.9 | 80.4 |
| Redundancy | 12.7 | 8.1 |
| CC(1/2) | 0.998 | 0.654 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277.15 | 0.12M alcohols, 0.1M Buffer system 1 (MES, Imidazole pH 6.5), Precipitant mix 2 Morpheus condition D2 with 10mM TEW |
