6FJ2
Structure of Thermolysin solved from SAD data collected at the peak of the Zn absorption edge on ID30B
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID30B |
| Synchrotron site | ESRF |
| Beamline | ID30B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-04-05 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.282 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 92.717, 92.717, 128.621 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 80.300 - 1.430 |
| R-factor | 0.14523 |
| Rwork | 0.144 |
| R-free | 0.16405 |
| Structure solution method | SAD |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.710 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | CRANK2 |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 80.300 | 1.450 |
| High resolution limit [Å] | 1.430 | 1.430 |
| Rmerge | 0.079 | 0.203 |
| Rmeas | 0.096 | 0.262 |
| Rpim | 0.042 | 0.137 |
| Number of reflections | 60230 | 2379 |
| <I/σ(I)> | 13.6 | 3.7 |
| Completeness [%] | 96.7 | 79.1 |
| Redundancy | 2.8 | 2 |
| CC(1/2) | 0.990 | 0.930 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 0.05M MES, 1M NaCl, 45% DMSO |
