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 |