4JIU
Crystal structure of the metallopeptidase zymogen of Pyrococcus abyssi abylysin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2011-02-26 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.9540,1.2821 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 34.620, 44.660, 72.000 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.700 - 1.150 |
| R-factor | 0.147 |
| Rwork | 0.147 |
| R-free | 0.19200 |
| Structure solution method | SAD |
| RMSD bond length | 0.014 |
| RMSD bond angle | 2.240 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | SHELXDE |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.700 | 1.210 |
| High resolution limit [Å] | 1.150 | 1.150 |
| Rmerge | 0.072 | 0.072 |
| Number of reflections | 40510 | |
| <I/σ(I)> | 18.5 | |
| Completeness [%] | 100.0 | 100 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.1M MES, 0.2M sodium/potassium phosphate, 2.6M sodium chloride, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
