7S53
Structure of Sortase A from Streptococcus pyogenes with the b7-b8 loop sequence from Listeria monocytogenes Sortase A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 80 |
Detector technology | PIXEL |
Collection date | 2020-12-12 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.00004 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 34.294, 58.137, 73.269 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.542 - 1.600 |
R-factor | 0.2648 |
Rwork | 0.263 |
R-free | 0.30060 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3fn5 |
RMSD bond length | 0.006 |
RMSD bond angle | 0.925 |
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] | 45.542 | 10.000 | 1.630 |
High resolution limit [Å] | 1.600 | 8.000 | 1.600 |
Rmerge | 0.106 | 0.043 | 0.508 |
Rmeas | 0.111 | 0.045 | 0.536 |
Rpim | 0.033 | 0.013 | 0.168 |
Number of reflections | 20018 | 160 | 974 |
<I/σ(I)> | 14.6 | ||
Completeness [%] | 99.8 | 99.8 | 99.4 |
Redundancy | 12.3 | 10.6 | 10 |
CC(1/2) | 0.993 | 0.999 | 0.919 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 24% (w/v) PEG 8000, 0.2 M sodium acetate, 0.1 M Tris pH 6.5 |