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) |