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 |