6QHC
Crystal Structure of Human Kallikrein 6 in complex with GSK358180B
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I02 |
Synchrotron site | Diamond |
Beamline | I02 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-02-13 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 57.680, 45.730, 89.580 |
Unit cell angles | 90.00, 93.26, 90.00 |
Refinement procedure
Resolution | 17.700 - 1.870 |
R-factor | 0.201 |
Rwork | 0.199 |
R-free | 0.23600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1lo6 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.130 |
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] | 34.380 | 1.920 |
High resolution limit [Å] | 1.870 | 1.870 |
Rmerge | 0.078 | 0.378 |
Rmeas | 0.095 | 0.477 |
Number of reflections | 36020 | 2655 |
<I/σ(I)> | 9.1 | 1.9 |
Completeness [%] | 92.5 | 68.87 |
Redundancy | 2.8 | 2.2 |
CC(1/2) | 0.988 | 0.832 |
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% |