6O21
Crystal Structure of Human KLK4 in Complex With Cleaved SFTI-FCQR(Asn14)[1,14] Inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-03-02 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9537 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 39.529, 63.145, 40.893 |
Unit cell angles | 90.00, 114.92, 90.00 |
Refinement procedure
Resolution | 37.085 - 1.150 |
R-factor | 0.1315 |
Rwork | 0.130 |
R-free | 0.16340 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4kel |
Data reduction software | MOSFLM |
Data scaling software | Aimless (0.3.6) |
Phasing software | PHASER (2.5.6) |
Refinement software | PHENIX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 63.150 | 1.170 |
High resolution limit [Å] | 1.150 | 1.150 |
Rmerge | 0.060 | 0.368 |
Rmeas | 0.068 | 0.434 |
Rpim | 0.031 | 0.227 |
Number of reflections | 62317 | 3008 |
<I/σ(I)> | 13 | |
Completeness [%] | 96.6 | 93.6 |
Redundancy | 4 | 3.5 |
CC(1/2) | 0.998 | 0.883 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 293 | 30 % (w/v) PEG 8000, 0.1 M sodium acetate, 0.2 M lithium sulfate, pH 4.5 |