5CUW
Crystal structure of Sortase E1 from Streptomyces coelicolor with tripeptide in the active site
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 | 2012-10-12 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9791 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 53.110, 104.300, 79.020 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.526 - 1.887 |
R-factor | 0.2013 |
Rwork | 0.200 |
R-free | 0.22730 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.089 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER (2.5.6) |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 43.530 | 1.930 | |
High resolution limit [Å] | 1.880 | 8.420 | 1.880 |
Rmerge | 0.189 | 0.082 | 1.108 |
Rmeas | 0.207 | 0.090 | 1.262 |
Total number of observations | 104280 | ||
Number of reflections | 17717 | 239 | 916 |
<I/σ(I)> | 6.82 | 15.69 | 1.38 |
Completeness [%] | 97.3 | 97.6 | 69.1 |
Redundancy | 5.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | 50 mM HEPES, pH 7.5, 1.4 M sodium citrate |