6YV5
Crystal Structure of Serine protease SplB 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 | P 21 21 21 |
| Unit cell lengths | 34.920, 64.340, 73.150 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.160 - 1.100 |
| R-factor | 0.187 |
| Rwork | 0.186 |
| R-free | 0.20000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2vid |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.170 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.32) |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 36.620 | 36.620 | 1.130 |
| High resolution limit [Å] | 1.100 | 4.920 | 1.100 |
| Rmerge | 0.066 | 0.050 | 0.726 |
| Rmeas | 0.073 | 0.055 | 0.907 |
| Rpim | 0.030 | 0.022 | 0.533 |
| Total number of observations | 336524 | 4877 | 9995 |
| Number of reflections | 66249 | 878 | 4064 |
| <I/σ(I)> | 10.5 | 29.5 | 1.1 |
| Completeness [%] | 97.7 | 99.8 | 82.4 |
| Redundancy | 5.1 | 5.6 | 2.5 |
| CC(1/2) | 0.998 | 0.998 | 0.552 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 298 | PEG3350 30%, TRIS-Cl pH 8.0 |
