6Y4S
Human kallikrein-related peptidase 7 (KLK7) in the unliganded state
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-01-23 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 113.150, 113.150, 326.140 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.450 - 2.230 |
| R-factor | 0.22 |
| Rwork | 0.219 |
| R-free | 0.24200 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3bsq |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.100 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.6.2) |
| Phasing software | REFMAC |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.450 | 48.450 | 2.300 |
| High resolution limit [Å] | 2.230 | 8.900 | 2.230 |
| Rmerge | 0.436 | 0.053 | 6.477 |
| Rmeas | 0.452 | 0.056 | 6.728 |
| Rpim | 0.116 | 0.016 | 1.792 |
| Total number of observations | 596786 | 8767 | 48318 |
| Number of reflections | 39789 | 701 | 3526 |
| <I/σ(I)> | 6.3 | 30.7 | 0.5 |
| Completeness [%] | 99.8 | 99 | 97.6 |
| Redundancy | 15 | 12.5 | 13.7 |
| CC(1/2) | 0.994 | 0.999 | 0.296 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 292 | 2.9 M ammonium sulphate, 0.1 M HEPES, pH 8.5 and 0.5-2 % PEG 3350 |
