5XZ0
Staphylococcal Enterotoxin B (SEB) mutant S19 - N23A, Y90A, R110A and F177A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 7A (6B, 6C1) |
Synchrotron site | PAL/PLS |
Beamline | 7A (6B, 6C1) |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-05-17 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.97933 |
Spacegroup name | C 2 2 2 |
Unit cell lengths | 174.565, 174.630, 48.769 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.153 - 3.002 |
R-factor | 0.2077 |
Rwork | 0.204 |
R-free | 0.24290 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4c56 4rgm |
RMSD bond length | 0.003 |
RMSD bond angle | 0.500 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.153 | 3.053 |
High resolution limit [Å] | 3.001 | 3.002 |
Number of reflections | 15421 | |
<I/σ(I)> | 16.5 | |
Completeness [%] | 99.8 | 98 |
Redundancy | 6.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 277 | 0.2M Potassium Fluoride 20% w/v PEG 3350 |