2DFJ
Crystal Structure of the Diadenosine Tetraphosphate Hydrolase from Shigella flexneri 2a
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BSRF BEAMLINE 3W1A |
Synchrotron site | BSRF |
Beamline | 3W1A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-06-05 |
Detector | MARRESEARCH |
Wavelength(s) | 0.9793 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 167.498, 54.965, 119.203 |
Unit cell angles | 90.00, 129.14, 90.00 |
Refinement procedure
Resolution | 38.950 - 2.720 |
R-factor | 0.23128 |
Rwork | 0.229 |
R-free | 0.26775 |
Structure solution method | SAD |
RMSD bond length | 0.010 |
RMSD bond angle | 1.560 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SOLVE |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.820 |
High resolution limit [Å] | 2.720 | 2.720 |
Rmerge | 0.123 | |
Number of reflections | 22410 | |
<I/σ(I)> | 17 | 6 |
Completeness [%] | 99.7 | 99.4 |
Redundancy | 7.1 | 4.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 291 | 0.1M Bis-Tris, 0.2M Magnesium chloride and 25% PEG 3350, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 291K |