4Q7G
1.7 Angstrom Crystal Structure of leukotoxin LukD from Staphylococcus aureus.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-04-10 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97872 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 49.740, 49.944, 134.868 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.950 - 1.700 |
| R-factor | 0.16891 |
| Rwork | 0.167 |
| R-free | 0.19599 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1pvl |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.408 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.067 | 0.615 |
| Number of reflections | 37802 | |
| <I/σ(I)> | 22.9 | 3 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 6 | 5.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 295 | Protein: 2.6mG/mL, 0.5M Sodium chloride, 0.01M Tris-HCL buffer, 0.5mM TCEP; Screen: Classics II (G7), 0.2M Ammonium acetate, 0.1M BIS-TRIS, 25% (w/v) PEG 3350, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
