4K8Y
Atomic resolution crystal structures of Kallikrein-Related Peptidase 4 complexed with Sunflower Trypsin Inhibitor (SFTI-1)
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 | 2012-09-23 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.82660 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 31.927, 75.747, 39.743 |
| Unit cell angles | 90.00, 95.73, 90.00 |
Refinement procedure
| Resolution | 29.296 - 1.000 |
| R-factor | 0.1511 |
| Rwork | 0.150 |
| R-free | 0.17020 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2bdg |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.212 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 29.300 | 29.300 | 1.050 |
| High resolution limit [Å] | 1.000 | 3.160 | 1.000 |
| Rmerge | 0.095 | 0.083 | 0.435 |
| Number of reflections | 100687 | ||
| <I/σ(I)> | 8.7 | 16.3 | 2.7 |
| Completeness [%] | 90.1 | 92.6 | 84.9 |
| Redundancy | 4 | 3.9 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.8 | 293 | 0.2M Lithium Sulfate, 0.1M Sodium Acetate, 20%(w/v) PEG 8000, pH 4.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
