1KRO
Thermolysin complexed with Z-D-Threonine (benzyloxycarbonyl-D-Threonine)
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 | 2000-12-07 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 93.759, 93.759, 131.340 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 25.530 - 1.700 |
| R-factor | 0.171 |
| Rwork | 0.166 |
| R-free | 0.18200 |
| 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] | 25.530 | 1.690 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.096 | |
| Number of reflections | 45278 | |
| <I/σ(I)> | 4.6 | |
| Completeness [%] | 99.5 | 97.2 |
| Redundancy | 6.9 |
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 |
