4LFD
Staphylococcus aureus sortase B-substrate complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-06-06 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.964 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 102.600, 59.120, 72.490 |
| Unit cell angles | 90.00, 90.02, 90.00 |
Refinement procedure
| Resolution | 72.490 - 2.490 |
| R-factor | 0.2177 |
| Rwork | 0.215 |
| R-free | 0.27100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ng5 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.260 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 72.490 | 2.580 |
| High resolution limit [Å] | 2.490 | 2.490 |
| Rmerge | 0.244 | |
| Number of reflections | 30889 | |
| <I/σ(I)> | 3.8 | |
| Completeness [%] | 95.0 | 89.9 |
| Redundancy | 4.7 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 298 | 150 uM SrtB-NPQT in 2.8 M Ammonium Sulfate, 70 mM Sodium Citrate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
