1UUN
Main porin from Mycobacterium smegmatis (MspA)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X11 |
| Temperature [K] | 100 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 113.860, 113.860, 229.300 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.000 * - 2.500 |
| R-factor | 0.22729 |
| Rwork | 0.226 |
| R-free | 0.24900 * |
| Structure solution method | MAD |
| RMSD bond length | 0.015 * |
| RMSD bond angle | 1.600 * |
| Data reduction software | XDS |
| Phasing software | SOLVE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.800 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.085 * | 0.310 * |
| Number of reflections | 25527 | |
| <I/σ(I)> | 18.6 | 6.3 |
| Completeness [%] | 98.0 | 89 |
| Redundancy | 7.1 | 6.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 5.6 | 6 * | PROTEIN WAS CRYSTALLIZED FROM: 0.1M SODIUM CITRATE PH 5.6, 0.1M LITHIUM SULFATE, 12% PEG4000, DETERGENTS WERE ADDED |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | sodium citrate | 60 (mM) | pH5.6 |
| 2 | 1 | drop | 60 (mM) | ||
| 3 | 1 | drop | PEG4000 | 7 (%(w/v)) | |
| 4 | 1 | drop | 0.2 (%(w/v)) | ||
| 5 | 1 | drop | C-HEGA-10 | 35 (mM) | |
| 6 | 1 | drop | MspA | 6 (mg/ml) | |
| 7 | 1 | reservoir | sodium citrate | 0.1 (M) | pH5.6 |
| 8 | 1 | reservoir | 0.1 (M) | ||
| 9 | 1 | reservoir | PEG4000 | 12 (%(w/v)) |
