9R33
Improved crystallization and diffraction quality of Mycobacterium tuberculosis OmamC/Rv1363c upon heat treatment
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 | 2024-02-16 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 1.0647 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 71.125, 111.889, 75.240 |
| Unit cell angles | 90.00, 117.83, 90.00 |
Refinement procedure
| Resolution | 66.540 - 2.300 |
| R-factor | 0.2294 |
| Rwork | 0.228 |
| R-free | 0.25270 |
| Structure solution method | SAD |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.355 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | CRANK2 |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 66.540 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.085 | 0.854 |
| Rmeas | 0.105 | 1.038 |
| Rpim | 0.053 | 0.582 |
| Number of reflections | 22435 | 4691 |
| <I/σ(I)> | 6.4 | 1 |
| Completeness [%] | 96.9 | 76.1 |
| Redundancy | 3.4 | 2.7 |
| CC(1/2) | 0.995 | 0.548 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8.5 | 279.15 | 100mM Tris pH8.5, 20% Glycerol Ethoxylate, 3% Poly ethylene imine (MidasPlus, MD1-106, Subwell H03) |
