4JIX
Crystal structure of the metallopeptidase zymogen of Methanocaldococcus jannaschii jannalysin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-05-23 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9790,1.0044 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 76.590, 76.590, 124.310 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 45.350 - 2.000 |
| R-factor | 0.1839 |
| Rwork | 0.183 |
| R-free | 0.21260 |
| Structure solution method | SAD |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.960 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | SHELXDE |
| Refinement software | BUSTER (2.11.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.400 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.042 | 0.042 |
| Number of reflections | 29001 | |
| <I/σ(I)> | 30.3 | |
| Completeness [%] | 99.1 | 99.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 277 | 0.1M Tris-HCl, 0.2M lithium sulfate monohydrate, 25%(w/v) polyethylene glycol 3,350, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
