5MS4
Kallikrein-related peptidase 8 leupeptin inhibitor complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-05-08 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.00000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 83.103, 46.045, 103.349 |
| Unit cell angles | 90.00, 91.40, 90.00 |
Refinement procedure
| Resolution | 65.530 - 2.100 |
| R-factor | 0.239 |
| Rwork | 0.212 |
| R-free | 0.25900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.771 |
| Data reduction software | XDS |
| Data scaling software | SCALA (3.3.22) |
| Phasing software | PHASER (2.6.1) |
| Refinement software | PHENIX (1.11.1-2575) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 103.318 | 2.210 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.380 | |
| Number of reflections | 45164 | |
| <I/σ(I)> | 6.1 | 1.8 |
| Completeness [%] | 97.7 | 93.2 |
| Redundancy | 3.4 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 291 | 35% (v/v) tert-Butanol, 0.1 M tri-Na citrate/citric acid |
