1KS7
Thermolysin complexed with Z-D-Aspartic acid (benzyloxycarbonyl-D-Aspartic acid)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-6A |
Synchrotron site | Photon Factory |
Beamline | BL-6A |
Temperature [K] | 293 |
Detector technology | CCD |
Collection date | 2000-11-11 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.00 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 93.668, 93.668, 131.505 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 23.420 - 1.700 |
R-factor | 0.1698 |
Rwork | 0.165 |
R-free | 0.18600 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 1.200 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 23.417 | 1.790 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.083 | |
Number of reflections | 37753 | |
<I/σ(I)> | 7.2 | |
Completeness [%] | 99.3 | 98.4 |
Redundancy | 7.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | DMSO, Calcium Acetate, Tris, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |