8DZD
Structure of MS3494 from Mycobacterium smegmatis bound to sucrose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-2 |
| Synchrotron site | SSRL |
| Beamline | BL12-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-05-08 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97946 |
| Spacegroup name | P 6 |
| Unit cell lengths | 98.463, 98.463, 45.581 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 33.469 - 1.901 |
| Rwork | 0.140 |
| R-free | 0.17500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7ref |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.472 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0352) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.469 | 1.950 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.090 | 0.746 |
| Rmeas | 0.095 | 0.784 |
| Number of reflections | 20058 | 1343 |
| <I/σ(I)> | 20.4 | 4.6 |
| Completeness [%] | 99.9 | |
| Redundancy | 10.2 | |
| CC(1/2) | 0.999 | 0.950 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 26 % PEG 4K, 0.2 M Lithium acetate (pH 7.5) Soaked in 20 % Sucrose |
