2DS7
Structure of the ZBD in the hexagonal crystal form
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 4A |
| Synchrotron site | PAL/PLS |
| Beamline | 4A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-06-30 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.95, 0.97924, 0.97868 |
| Spacegroup name | P 64 2 2 |
| Unit cell lengths | 41.053, 41.053, 102.234 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.000 - 2.500 |
| R-factor | 0.235 |
| Rwork | 0.235 |
| R-free | 0.27230 |
| Structure solution method | MAD |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.104 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SOLVE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Number of reflections | 2074 | |
| Completeness [%] | 99.6 | 98 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 295 | 100mM sodium acetate, pH 4.6, 200mM lithium sulfate, 12% 2-propanol, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
