3T9Q
Structure of the Phosphatase Domain of the Cell Fate Determinant SpoIIE from Bacillus subtilis (Mn presoaked)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-03-07 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.93930 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 86.014, 86.014, 322.471 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 43.580 - 2.760 |
R-factor | 0.22802 |
Rwork | 0.224 |
R-free | 0.29965 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3t91 |
RMSD bond length | 0.020 |
RMSD bond angle | 2.001 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.6.0086) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.810 |
High resolution limit [Å] | 2.760 | 2.760 |
Rmerge | 0.066 | 0.394 |
Number of reflections | 19173 | |
<I/σ(I)> | 64.2 | 7.7 |
Completeness [%] | 99.5 | 94.8 |
Redundancy | 16.8 | 16.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.9 - 1.2 M sodium acetate and 0.1 M HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |