1KKK
Thermolysin complexed with Z-L-Aspartic Acid (benzyloxycarbonyl-L-Aspartic Acid)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-18B |
| Synchrotron site | Photon Factory |
| Beamline | BL-18B |
| Temperature [K] | 293 |
| Detector technology | CCD |
| Collection date | 2000-10-18 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 93.676, 93.676, 131.515 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 25.130 - 1.600 |
| R-factor | 0.176 |
| Rwork | 0.169 |
| R-free | 0.18900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| 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] | 25.120 | 1.690 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.071 | |
| Number of reflections | 45008 | |
| <I/σ(I)> | 6.8 | |
| Completeness [%] | 99.1 | 98.2 |
| Redundancy | 7.1 |
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 |
