6SKC
Crystal Structure of Human Kallikrein 6 (I218Y) in complex with GSK3448330A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-12-08 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.97949 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.080, 46.080, 80.960 |
| Unit cell angles | 90.00, 98.71, 90.00 |
Refinement procedure
| Resolution | 35.440 - 2.180 |
| R-factor | 0.19 |
| Rwork | 0.188 |
| R-free | 0.24100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1lo6 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.180 |
| 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] | 35.940 | 2.240 |
| High resolution limit [Å] | 2.180 | 2.180 |
| Rmerge | 0.120 | 0.467 |
| Rmeas | 0.146 | 0.565 |
| Rpim | 0.081 | 0.399 |
| Number of reflections | 66928 | 4905 |
| <I/σ(I)> | 6.5 | 1.9 |
| Completeness [%] | 98.6 | 99.3 |
| Redundancy | 3 | 3 |
| CC(1/2) | 0.973 | 0.804 |
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% |
