3ROH
Crystal Structure of Leukotoxin (LukE) from Staphylococcus aureus subsp. aureus COL.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-03-31 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97856 |
| Spacegroup name | I 4 |
| Unit cell lengths | 133.904, 133.904, 64.473 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.940 - 3.200 |
| R-factor | 0.18055 |
| Rwork | 0.178 |
| R-free | 0.22418 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1t5r |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.358 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 3.260 |
| High resolution limit [Å] | 3.200 | 3.200 |
| Rmerge | 0.077 | 0.552 |
| Number of reflections | 9573 | |
| <I/σ(I)> | 25.8 | 4 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.5 | 7.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 295 | Protein: 7mG/mL, 0.25M Sodium chloride, 0.01M Tris, pH 8.3. Screen: JCSG+, D7, 0.2M Lithium sulfate, 0.1M Tris, pH 8.5, 40% v/v PEG 400. VAPOR DIFFUSION, SITTING DROP, temperature 295K |
