5XYR
Crystal structure of a serine protease from Streptococcus species
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-04-18 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.987 |
Spacegroup name | P 62 2 2 |
Unit cell lengths | 191.625, 191.625, 250.956 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 19.991 - 2.800 |
R-factor | 0.2102 |
Rwork | 0.209 |
R-free | 0.25690 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5xxz |
RMSD bond length | 0.011 |
RMSD bond angle | 1.323 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX ((dev_2733: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.870 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.206 | 0.608 |
Number of reflections | 79790 | |
<I/σ(I)> | 10 | |
Completeness [%] | 99.7 | |
Redundancy | 18.7 |
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 |