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 |
