5JT9
Thermolysin in complex with JC106.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-05-09 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.91841 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 92.547, 92.547, 131.226 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 34.200 - 1.260 |
R-factor | 0.1039 |
Rwork | 0.103 |
R-free | 0.12070 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.115 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.340 |
High resolution limit [Å] | 1.260 | 1.260 |
Rmerge | 0.490 | |
Number of reflections | 89582 | |
<I/σ(I)> | 21.75 | 5.52 |
Completeness [%] | 99.9 | 99.3 |
Redundancy | 15.04 | 16.92 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.5 | 291.15 | 50 MM TRIS/HCL, 1.9 M CSCL, 50% DMSO |