9HLE
Structure of Mycobacterium tuberculosis SteB (Rv1698), a cell division regulator
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 2 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-09-09 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 1.071 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 64.418, 162.346, 148.765 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.560 - 2.035 |
| R-factor | 0.2213 |
| Rwork | 0.220 |
| R-free | 0.24650 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.900 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.7) |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.4) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 81.173 | 81.173 | 2.071 |
| High resolution limit [Å] | 2.035 | 5.524 | 2.035 |
| Rmerge | 0.137 | 0.090 | 0.988 |
| Rmeas | 0.145 | 0.096 | 1.065 |
| Rpim | 0.048 | 0.033 | 0.390 |
| Total number of observations | 449914 | 23109 | 17167 |
| Number of reflections | 50045 | 2697 | 2414 |
| <I/σ(I)> | 10.5 | 21.95 | 2.18 |
| Completeness [%] | 99.3 | 99.9 | 97.1 |
| Redundancy | 8.99 | 8.57 | 7.11 |
| CC(1/2) | 0.994 | 0.991 | 0.657 |
| Anomalous redundancy | 4.7 | 4.7 | 3.7 |
| CC(ano) | -0.024 | 0.004 | -0.004 |
| |DANO|/σ(DANO) | 0.8 | 1.0 | 0.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.1 M CdCl2 0.1 M Na Acetate pH 4.6 30 %v/v PEG 400 |
