5XXZ
Crystal structure of a serine protease from Streptococcus species
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL13B1 |
| Synchrotron site | NSRRC |
| Beamline | BL13B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-06-06 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 182.134, 132.847, 151.989 |
| Unit cell angles | 90.00, 100.69, 90.00 |
Refinement procedure
| Resolution | 19.979 - 3.085 |
| R-factor | 0.2073 |
| Rwork | 0.205 |
| R-free | 0.26300 |
| Structure solution method | SAD |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.362 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CRANK2 |
| Refinement software | PHENIX ((dev_2733: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.120 |
| High resolution limit [Å] | 3.080 | 3.080 |
| Rmerge | 0.190 | 0.720 |
| Number of reflections | 126754 | |
| <I/σ(I)> | 10 | |
| Completeness [%] | 99.6 | |
| Redundancy | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.65 | 298 | 0.2 M MgCl hexahydrate, 0.1 M Tris, pH 8.65, 28% PEG 3500 |
