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 |
