6FLS
Pentapeptide repeat family protein from Clostridium botulinum
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-04-16 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9282 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 107.751, 108.475, 112.890 |
Unit cell angles | 90.00, 94.60, 90.00 |
Refinement procedure
Resolution | 112.530 - 2.800 |
R-factor | 0.1716 |
Rwork | 0.170 |
R-free | 0.20500 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.357 |
Data reduction software | DIALS |
Data scaling software | DIALS |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0222) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 112.530 | 2.870 |
High resolution limit [Å] | 2.800 | 2.800 |
Number of reflections | 63384 | |
<I/σ(I)> | 10.1 | |
Completeness [%] | 99.2 | |
Redundancy | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M Bis-Tris pH 5.5, 25% PEG 3350 |