6SCU
THERMOLYSIN IN COMPLEX WITH FRAGMENT J88
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 | 2016-03-11 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9184 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 92.307, 92.307, 129.622 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 46.150 - 1.420 |
R-factor | 0.1333 |
Rwork | 0.132 |
R-free | 0.16200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | NONE |
RMSD bond length | 0.006 |
RMSD bond angle | 0.882 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.510 |
High resolution limit [Å] | 1.420 | 1.420 |
Number of reflections | 61953 | 9812 |
<I/σ(I)> | 18.9 | 4.4 |
Completeness [%] | 100.0 | 99.9 |
Redundancy | 8.3 | |
CC(1/2) | 0.999 | 0.945 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291.15 | 50 MM TRIS/HCL, 1.9 M CSCL, 50% DMSO |