7EWI
Toxin protein from Staphylococcus aureus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NW12A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-02-27 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 56.248, 61.422, 75.508 |
| Unit cell angles | 90.00, 101.20, 90.00 |
Refinement procedure
| Resolution | 33.950 - 1.930 |
| R-factor | 0.2045 |
| Rwork | 0.203 |
| R-free | 0.23960 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1m1f |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.237 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.18.2_3874: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.970 |
| High resolution limit [Å] | 1.930 | 1.940 |
| Number of reflections | 37045 | 1462 |
| <I/σ(I)> | 24.13 | |
| Completeness [%] | 97.4 | 79.8 |
| Redundancy | 4.1 | |
| CC(1/2) | 0.988 | 0.877 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 20% (w/v) PEG 1000, 0.1 M potassium phosphate monobasic/sodium phosphate dibasic, pH 6.2, 0.2 M sodium chloride |
