6SC0
THERMOLYSIN IN COMPLEX WITH FRAGMENT J22
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ELETTRA BEAMLINE 5.2R |
Synchrotron site | ELETTRA |
Beamline | 5.2R |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-02-11 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1.00 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 92.572, 92.572, 129.113 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 46.290 - 1.530 |
R-factor | 0.1464 |
Rwork | 0.145 |
R-free | 0.16640 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | NONE |
RMSD bond length | 0.007 |
RMSD bond angle | 0.943 |
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 | 1.620 |
High resolution limit [Å] | 1.530 | 1.530 |
Number of reflections | 49092 | 7698 |
<I/σ(I)> | 21.27 | 4.11 |
Completeness [%] | 98.6 | 97.2 |
Redundancy | 5.4 | |
CC(1/2) | 0.999 | 0.923 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291.15 | 50 MM TRIS/HCL, 1.9 M CSCL, 50% DMSO, PH 7.5 |