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 |