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 |
