4WVI
Crystal structure of the Type-I signal peptidase from Staphylococcus aureus (SpsB) in complex with a substrate peptide (pep2).
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-04-01 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 63.989, 80.232, 119.879 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.780 - 1.900 |
| R-factor | 0.1895 |
| Rwork | 0.188 |
| R-free | 0.21940 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4wvg |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.215 |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0071) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 19.780 | 19.780 | 1.940 |
| High resolution limit [Å] | 1.900 | 8.910 | 1.900 |
| Rmerge | 0.190 | 0.042 | 2.077 |
| Rpim | 0.064 | 0.015 | 0.698 |
| Total number of observations | 466776 | 4058 | 31178 |
| Number of reflections | 49376 | ||
| <I/σ(I)> | 11.1 | 37.2 | 1.5 |
| Completeness [%] | 99.9 | 91 | 100 |
| Redundancy | 9.5 | 8.1 | 9.5 |
| CC(1/2) | 0.997 | 0.999 | 0.514 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 290 | 12 % PEG 8000, 20 % ethylene glycol, 100 mM sodium acetate pH 5.3 - 5.5 |
