6QH9
Crystal Structure of Human Kallikrein 6 in complex with GSK3239861A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-01-17 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.92 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 58.590, 46.320, 91.930 |
Unit cell angles | 90.00, 94.06, 90.00 |
Refinement procedure
Resolution | 45.850 - 2.270 |
R-factor | 0.207 |
Rwork | 0.204 |
R-free | 0.24800 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.170 |
Data reduction software | XDS |
Data scaling software | Aimless (0.2.12) |
Phasing software | PHASER |
Refinement software | BUSTER (2.11.6) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.320 | 2.330 |
High resolution limit [Å] | 2.270 | 2.270 |
Rmerge | 0.107 | 0.934 |
Rmeas | 0.129 | |
Rpim | 0.071 | 0.669 |
Number of reflections | 22044 | 2105 |
<I/σ(I)> | 9.3 | 1.8 |
Completeness [%] | 95.4 | 91.32 |
Redundancy | 3.2 | 2.8 |
CC(1/2) | 0.987 | 0.530 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.6 | 293 | 100mM Tris-HCl pH 8.6, PEG 4000 18-28% |