5MS3
Kallikrein-related peptidase 8 calcium complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE X12 |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | X12 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-10-23 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97469 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 45.997, 51.741, 82.863 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.888 - 2.300 |
R-factor | 0.2234 |
Rwork | 0.221 |
R-free | 0.26560 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1npm |
RMSD bond length | 0.006 |
RMSD bond angle | 0.721 |
Data reduction software | XDS |
Data scaling software | Aimless (0.1.27) |
Phasing software | PHASER (2.6.1) |
Refinement software | PHENIX (1.10.1-2155) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 82.860 | 82.860 | 2.380 |
High resolution limit [Å] | 2.300 | 8.900 | 2.300 |
Rmerge | 0.158 | 0.076 | 0.403 |
Number of reflections | 9263 | ||
<I/σ(I)> | 8.1 | ||
Completeness [%] | 99.7 | 99.8 | 97.3 |
Redundancy | 9.3 | 9.2 | 6.6 |
CC(1/2) | 0.995 | 0.996 | 0.966 |
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 |