5MUN
Structural insight into zymogenic latency of gingipain K from Porphyromonas gingivalis.
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 173.15 |
| Detector technology | PIXEL |
| Collection date | 2012-11-07 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9795, 1.8000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 63.650, 66.250, 96.240 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.750 - 1.800 |
| R-factor | 0.1978 |
| Rwork | 0.197 |
| R-free | 0.24040 |
| Structure solution method | SIRAS |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.100 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | SHELXDE |
| Refinement software | BUSTER (2.10.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 96.200 | 1.910 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.054 | 0.830 |
| Rmeas | 0.061 | 0.943 |
| Number of reflections | 38292 | 6065 |
| <I/σ(I)> | 19.8 | 1.95 |
| Completeness [%] | 99.7 | 98.7 |
| Redundancy | 4.4 | 4.4 |
| CC(1/2) | 0.999 | 0.651 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293.15 | 14 % polyvinylpyrrolidone K15 0.1 M Bis-Tris, pH 5.5 |
