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% |
