8OSD
Crystal structure of the titin domain Fn3-49
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 | P 1 21 1 |
Unit cell lengths | 24.460, 66.810, 52.810 |
Unit cell angles | 90.00, 102.33, 90.00 |
Refinement procedure
Resolution | 40.830 - 1.700 |
R-factor | 0.2193 |
Rwork | 0.217 |
R-free | 0.26020 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 0.899 |
Data reduction software | xia2 |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.830 | 1.760 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.111 | 0.561 |
Number of reflections | 17148 | 1663 |
<I/σ(I)> | 6.83 | |
Completeness [%] | 93.6 | |
Redundancy | 3 | |
CC(1/2) | 0.989 | 0.770 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 30mM HEPES pH 7.5 150mM NaCl 1mM DTT 100mM Potassium thiocyanate 30% w/v PEG MME2000 |