4QPB
Catalytic domain of the antimicrobial peptidase lysostaphin from Staphylococcus simulans crystallized in the absence of phosphate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.2 |
| Synchrotron site | BESSY |
| Beamline | 14.2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-10-17 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 34.289, 107.318, 34.307 |
| Unit cell angles | 90.00, 97.63, 90.00 |
Refinement procedure
| Resolution | 33.990 - 1.780 |
| R-factor | 0.21133 |
| Rwork | 0.210 |
| R-free | 0.24432 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4qp5 |
| RMSD bond length | 0.023 |
| RMSD bond angle | 1.754 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0066) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.000 | 1.890 |
| High resolution limit [Å] | 1.780 | 1.780 |
| Number of reflections | 23389 | |
| <I/σ(I)> | 7.52 | 2.1 |
| Completeness [%] | 99.1 | 98.8 |
| Redundancy | 2.74 | 2.73 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 6 mM pentapeptide GGSGG, 0.1 M Tris (base), Bicine pH 8.5, 0.1 M amino acids (L-Na-glutamate, alanine (racemic), glycine; lysine-HCl (racemic); serine (racemic)), 30% v/v precipitant (ethylene glycol, PEG 8000)., VAPOR DIFFUSION, SITTING DROP, temperature 277K |
