8OMW
Crystal structure of the titin domain Fn3-20
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I02 |
Synchrotron site | Diamond |
Beamline | I02 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-10-17 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.979 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 49.034, 34.263, 63.081 |
Unit cell angles | 90.00, 99.68, 90.00 |
Refinement procedure
Resolution | 31.090 - 1.050 |
R-factor | 0.1501 |
Rwork | 0.149 |
R-free | 0.17750 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.273 |
Data reduction software | xia2 |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 31.090 | 1.090 |
High resolution limit [Å] | 1.050 | 1.050 |
Rmerge | 0.627 | |
Number of reflections | 47937 | 4253 |
<I/σ(I)> | 163.69 | |
Completeness [%] | 98.0 | 88.64 |
Redundancy | 14 | 14 |
CC(1/2) | 0.774 | 0.612 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 10mM Tris-HCl pH 7.5 50mM NaCl 0.5mM DTT 0.1M TBG pH 9.0 25% w/v PEG 1500 |