6SB9
Thermolysin in complex with J28
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 | 2016-08-26 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.918400 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 92.831, 92.831, 129.129 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 46.420 - 1.300 |
R-factor | 0.1281 |
Rwork | 0.127 |
R-free | 0.15140 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | NONE |
RMSD bond length | 0.006 |
RMSD bond angle | 0.914 |
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] | 46.450 | 1.380 |
High resolution limit [Å] | 1.300 | 1.300 |
Number of reflections | 80826 | 12774 |
<I/σ(I)> | 21.18 | 4.07 |
Completeness [%] | 99.8 | 99.3 |
Redundancy | 6.2 | |
CC(1/2) | 0.999 | 0.920 |
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 |