5O8N
Structure of thermolysin at room temperature via a method of acoustically induced rotation.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 293 |
Detector technology | PIXEL |
Collection date | 2017-01-20 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9686 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 93.552, 93.552, 129.753 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 44.004 - 1.900 |
R-factor | 0.2038 |
Rwork | 0.200 |
R-free | 0.25860 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5uu9 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.867 |
Data reduction software | DIALS |
Data scaling software | cctbx.prime |
Phasing software | PHASER |
Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.020 | 1.930 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.427 | 0.959 |
Number of reflections | 26888 | 1316 |
<I/σ(I)> | 2.19 | 0.19 |
Completeness [%] | 99.2 | 99.8 |
Redundancy | 61.2 | 42.1 |
CC(1/2) | 0.290 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 291 | Well solution: 1.2M Ammonium sulphate. Protein solution: 50mg/ml thermolysin, 50mM MES, 45% DMSO, 0.5M NaCl. |