6QHA
Crystal Structure of Human Kallikrein 6 in complex with GSK3205388B
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-06-13 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9763 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 58.660, 45.850, 90.000 |
Unit cell angles | 90.00, 94.06, 90.00 |
Refinement procedure
Resolution | 47.510 - 1.820 |
R-factor | 0.215 |
Rwork | 0.213 |
R-free | 0.24800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1lo6 |
RMSD bond length | 0.017 |
RMSD bond angle | 1.090 |
Data reduction software | XDS |
Data scaling software | Aimless (0.3.3) |
Phasing software | PHASER |
Refinement software | BUSTER (2.11.6) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.510 | 1.890 |
High resolution limit [Å] | 1.820 | 1.820 |
Rmerge | 0.074 | 0.639 |
Rmeas | 0.089 | 0.825 |
Rpim | 0.048 | 0.512 |
Number of reflections | 130100 | 7335 |
<I/σ(I)> | 10.3 | 1.3 |
Completeness [%] | 94.4 | 75.5 |
Redundancy | 3.2 | 2.4 |
CC(1/2) | 0.996 | 0.655 |
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% |