7U5B
Structure of Human KLK5 bound to anti-KLK5 Fab
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.1 |
Synchrotron site | ALS |
Beamline | 5.0.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-08-08 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9876 |
Spacegroup name | F 2 2 2 |
Unit cell lengths | 83.686, 283.624, 295.575 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 52.875 - 2.371 |
R-factor | 0.224 |
Rwork | 0.222 |
R-free | 0.27040 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2psx |
RMSD bond length | 0.010 |
RMSD bond angle | 1.220 |
Data reduction software | XDS |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX (1.12-2829_final) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 52.875 | 2.379 |
High resolution limit [Å] | 2.371 | 2.371 |
Number of reflections | 806688 | 2797 |
<I/σ(I)> | 10.4 | |
Completeness [%] | 99.1 | 97 |
Redundancy | 9.3 | 9.8 |
CC(1/2) | 0.995 | 0.866 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | 15% PEG4K, 0.1 M MgSO4 and 0.1 M sodium citrate pH 5.0 |