7S4O
Structure of C208A Sortase A from Streptococcus pyogenes bound to LPATS peptide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.1 |
Synchrotron site | ALS |
Beamline | 5.0.1 |
Temperature [K] | 80 |
Detector technology | PIXEL |
Collection date | 2021-05-21 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.977410 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 38.489, 59.098, 64.574 |
Unit cell angles | 90.00, 101.69, 90.00 |
Refinement procedure
Resolution | 43.177 - 1.396 |
R-factor | 0.1705 |
Rwork | 0.169 |
R-free | 0.19380 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3fn5 |
RMSD bond length | 0.006 |
RMSD bond angle | 0.872 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHENIX |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 43.180 | 10.000 | 1.420 |
High resolution limit [Å] | 1.396 | 7.640 | 1.400 |
Rmerge | 0.091 | 0.088 | 0.413 |
Rmeas | 0.098 | 0.096 | 0.459 |
Rpim | 0.038 | 0.038 | 0.196 |
Number of reflections | 55913 | 367 | 2272 |
<I/σ(I)> | 11.1 | ||
Completeness [%] | 99.0 | 99.7 | 80.8 |
Redundancy | 6.5 | 6.3 | 5 |
CC(1/2) | 0.995 | 0.973 | 0.906 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | 30% (w/v) PEG 8000, 0.1 M sodium acetate, 0.1 M Tris pH 6 |