6FSM
Crystal structure of TCE-treated Thermolysin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-12-16 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 1 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 92.948, 92.948, 129.668 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 46.474 - 1.390 |
| R-factor | 0.1482 |
| Rwork | 0.148 |
| R-free | 0.16190 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1tlx |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.950 |
| Data reduction software | XDS (20170920) |
| Data scaling software | XDS (20170920) |
| Phasing software | PHASER ((1.12_2829)) |
| Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.470 | 1.440 |
| High resolution limit [Å] | 1.390 | 1.390 |
| Number of reflections | 66860 | 6535 |
| <I/σ(I)> | 16.71 | |
| Completeness [%] | 100.0 | 99.98 |
| Redundancy | 19.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277.15 | 25 mg/ml Thermolysin in 0.05 M NaOH 1:1 with 40 mM KH2PO4, 16 % (w/v) PEG8000, 20 % (v/v) glycerol, 30 mM TCE |
