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 |