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 |
