3QH1
Structure of Thermolysin in complex with N-benzyloxycarbonyl-L-aspartic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12C |
| Synchrotron site | NSLS |
| Beamline | X12C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-06-03 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.075 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 92.503, 92.503, 130.102 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 34.110 - 1.550 |
| R-factor | 0.11509 |
| Rwork | 0.113 |
| R-free | 0.15033 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 8tln |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.642 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 100.000 |
| High resolution limit [Å] | 1.550 |
| Rmerge | 0.087 |
| Number of reflections | 48259 |
| <I/σ(I)> | 27.1 |
| Completeness [%] | 100.0 |
| Redundancy | 19.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | THERMOLYSIN WAS DISSOLVED IN 30% DMSO, 36mM TRIS/HCl, 1M CALCIUM ACETATE pH 6.3 AT 100MG/ML, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
