6SKB
Crystal Structure of Human Kallikrein 6 (N217D/I218Y/K224R) in complex with GSK3496783A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-04-10 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.975656 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 58.360, 46.110, 119.560 |
Unit cell angles | 90.00, 91.03, 90.00 |
Refinement procedure
Resolution | 36.510 - 1.840 |
R-factor | 0.197 |
Rwork | 0.196 |
R-free | 0.22900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1lo6 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.110 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | BUSTER (2.11.7) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.110 | 1.910 |
High resolution limit [Å] | 1.840 | 1.840 |
Rmerge | 0.085 | 0.671 |
Rmeas | 0.102 | 0.804 |
Rpim | 0.055 | 0.438 |
Number of reflections | 176516 | 15911 |
<I/σ(I)> | 7.5 | 1.5 |
Completeness [%] | 98.6 | 93.8 |
Redundancy | 3.2 | 3.2 |
CC(1/2) | 0.995 | 0.599 |
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% |