6SBK
THERMOLYSIN IN COMPLEX WITH FRAGMENT J13
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 | 2016-02-10 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1.00 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 92.561, 92.561, 129.273 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 46.280 - 1.480 |
R-factor | 0.1514 |
Rwork | 0.150 |
R-free | 0.16920 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | NONE |
RMSD bond length | 0.004 |
RMSD bond angle | 0.750 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASES |
Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.280 | 1.570 |
High resolution limit [Å] | 1.480 | 1.480 |
Number of reflections | 54619 | 8612 |
<I/σ(I)> | 20.24 | 3.99 |
Completeness [%] | 99.2 | 98.3 |
Redundancy | 6.5 | |
CC(1/2) | 0.999 | 0.911 |
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 |