1PVL
STRUCTURE OF THE PANTON-VALENTINE LEUCOCIDIN F COMPONENT FROM STAPHYLOCOCCUS AUREUS
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X31 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X31 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1997-10 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.8270, 1.1271 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 50.740, 72.380, 98.930 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.400 - 2.000 |
| R-factor | 0.2 * |
| Rwork | 0.201 |
| R-free | 0.24300 |
| Structure solution method | MAD |
| RMSD bond length | 0.012 |
| RMSD bond angle | 0.027 |
| Data reduction software | DENZO |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | SHARP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.400 | 2.120 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.032 | 0.088 |
| Total number of observations | 96992 * | |
| Number of reflections | 21089 | |
| <I/σ(I)> | 8 | 7.2 |
| Completeness [%] | 85.0 | 88 |
| Redundancy | 4.6 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 6.8 | 4 * | pH 6.8 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 20 (mg/ml) | |
| 2 | 1 | reservoir | Tris-HCl | 200 (mM) | |
| 3 | 1 | reservoir | MES | ||
| 4 | 1 | reservoir | PEG4000 | 21 (%(w/v)) | |
| 5 | 1 | reservoir | cadmium chloride | 7 (mM) |
