6YV6
Crystal Structure of Serine protease SplB N2K/N3Q/S154R from Staphylococcus aureus
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-09-13 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9795 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 130.690, 44.310, 30.810 |
Unit cell angles | 90.00, 92.94, 90.00 |
Refinement procedure
Resolution | 19.360 - 1.360 |
R-factor | 0.19 |
Rwork | 0.189 |
R-free | 0.20400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2vid |
RMSD bond length | 0.010 |
RMSD bond angle | 1.140 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.1) |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.3) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 32.630 | 32.630 | 1.400 |
High resolution limit [Å] | 1.360 | 6.080 | 1.360 |
Rmerge | 0.052 | 0.026 | 1.527 |
Rmeas | 0.057 | 0.029 | 1.662 |
Rpim | 0.021 | 0.011 | 0.641 |
Total number of observations | 271636 | 2972 | 18425 |
Number of reflections | 37738 | 451 | 2803 |
<I/σ(I)> | 15.2 | 51 | 1.1 |
Completeness [%] | 99.4 | 98.9 | 99.4 |
Redundancy | 7.2 | 6.6 | 6.6 |
CC(1/2) | 1.000 | 0.999 | 0.557 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 298 | PEG3350 30%, TRIS-Cl pH 8.0 |