7AI2
Crystal structure of Se-Met labelled MCE domain of Mce4A from Mycobacterium tuberculosis H37Rv
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX IV BEAMLINE BioMAX |
| Synchrotron site | MAX IV |
| Beamline | BioMAX |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-06-07 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.968 |
| Spacegroup name | P 65 |
| Unit cell lengths | 134.022, 134.022, 105.533 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 43.870 - 3.610 |
| R-factor | 0.2183 |
| Rwork | 0.216 |
| R-free | 0.24660 |
| Structure solution method | SAD |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.541 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | CRANK2 |
| Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.040 | 3.900 |
| High resolution limit [Å] | 3.600 | 3.600 |
| Rpim | 0.110 | 1.450 |
| Number of reflections | 12505 | 2961 |
| <I/σ(I)> | 7.1 | 1.2 |
| Completeness [%] | 99.8 | 99.5 |
| Redundancy | 12.41 | |
| CC(1/2) | 0.990 | 0.230 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 293.15 | 100 mM MES, 700 mM ammonium sulfate, pH 6.0 |
