5JSS
Thermolysin in complex with JC149.
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 | 92.528, 92.528, 131.314 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 40.066 - 1.190 |
R-factor | 0.1043 |
Rwork | 0.103 |
R-free | 0.12090 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 8tln |
RMSD bond length | 0.011 |
RMSD bond angle | 1.161 |
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 | 1.260 |
High resolution limit [Å] | 1.190 | 1.190 |
Number of reflections | 106247 | |
<I/σ(I)> | 18.18 | 5.17 |
Completeness [%] | 100.0 | 99.7 |
Redundancy | 15.1 | 15 |
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 |