1H4Y
Structure of the Anti-Sigma Factor Antagonist SpoIIAA in its Unphosphorylated Form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 36.764, 53.543, 101.340 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.610 |
| R-factor | 0.159 * |
| Rwork | 0.159 |
| R-free | 0.21400 |
| Structure solution method | MAD |
| RMSD bond length | 0.021 * |
| RMSD bond angle | 1.801 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.900 | 1.670 |
| High resolution limit [Å] | 1.610 | 1.610 |
| Rmerge | 0.076 | 0.240 |
| Total number of observations | 118510 * | |
| Number of reflections | 25927 | |
| <I/σ(I)> | 19.8 | 5.4 |
| Completeness [%] | 96.4 | 87.1 |
| Redundancy | 4.57 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 8.5 | 291 * | Seavers, P.R., (2001) Acta Crystallogr., D57, 292. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 5 (mg/ml) | |
| 2 | 1 | drop | Tris-HCl | 10 (mM) | |
| 3 | 1 | drop | 50 (mM) | ||
| 4 | 1 | drop | dithiothreitol | 1 (mM) | |
| 5 | 1 | reservoir | PEG4000 | 15 (%) | |
| 6 | 1 | reservoir | 200 (mM) | ||
| 7 | 1 | reservoir | Tris-HCl | 100 (mM) |
