5LEO
Complex structure of lysostaphin SH3b domain with peptidoglycan fragment
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-10-27 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.8726 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 50.380, 54.364, 63.229 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.402 - 1.600 |
| R-factor | 0.1866 |
| Rwork | 0.184 |
| R-free | 0.23510 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4lxc |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.115 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 60.000 |
| High resolution limit [Å] | 1.570 |
| Rmerge | 0.215 |
| Number of reflections | 25084 |
| <I/σ(I)> | 5.25 |
| Completeness [%] | 98.9 |
| Redundancy | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 290 | Buffer system 3 (0.1 M Tris (base), Bicine buffer, pH 8.5), 0.09 M NPS (NaNO3, Na2HPO4, (NH4)SO4), 37.5% MPD (racemic), PEG 1000, PEG 3350 |
