8OT5
Crystal structure of the titin domain Fn3-85
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-04-23 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.969 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 59.358, 99.829, 62.239 |
Unit cell angles | 90.00, 105.55, 90.00 |
Refinement procedure
Resolution | 57.190 - 1.560 |
R-factor | 0.1642 |
Rwork | 0.163 |
R-free | 0.19120 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 0.996 |
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] | 57.190 | 1.620 |
High resolution limit [Å] | 1.560 | 1.560 |
Rmerge | 0.091 | 0.358 |
Number of reflections | 98485 | 9760 |
<I/σ(I)> | 10.29 | |
Completeness [%] | 99.3 | |
Redundancy | 3.4 | |
CC(1/2) | 0.988 | 0.831 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 30mM HEPES pH 7.5 150mM NaCl 1mM DTT 100mM Bis-Tris propane pH 6.5 200mM sodium iodide 20% w/v PEG3350 |