1OFT
Crystal structure of SulA from Pseudomonas aeruginosa
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX9.6 |
| Synchrotron site | SRS |
| Beamline | PX9.6 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 80.400, 92.600, 94.300 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.900 |
| R-factor | 0.2466 |
| Rwork | 0.247 |
| R-free | 0.28900 * |
| Structure solution method | MIR |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.497 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | SOLVE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.060 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.095 * | 0.274 * |
| Number of reflections | 15552 | |
| <I/σ(I)> | 14 | 2.2 |
| Completeness [%] | 99.8 * | 99.8 * |
| Redundancy | 3.9 * | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, sitting drop * | 7.5 * | 19 * | pH 5.60 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | 200 (mM) | ||
| 10 | 1 | reservoir | Jeffamine M-600 | 1 (%) | pH5.5 |
| 11 | 1 | reservoir | sodium citrate | 0.1 (M) | pH5.0 |
| 2 | 1 | drop | Tris | 20 (mM) | |
| 3 | 1 | drop | dithiothreitol | 5 (mM) | |
| 4 | 1 | drop | 5 (mM) | ||
| 5 | 1 | drop | GTP | 0.1 (mM) | |
| 6 | 1 | drop | 1 (mM) | pH7.5 | |
| 7 | 1 | reservoir | 1,6-hexanediol | 3 (%) | |
| 8 | 1 | reservoir | 50 (mM) | ||
| 9 | 1 | reservoir | 5 (mM) |
