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 |