8OS3
Crystal structure of the titin domain Fn3-11
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 | 45.694, 34.283, 59.239 |
Unit cell angles | 90.00, 92.26, 90.00 |
Refinement procedure
Resolution | 29.600 - 1.680 |
R-factor | 0.168 |
Rwork | 0.166 |
R-free | 0.20820 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.182 |
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] | 29.600 | 1.740 |
High resolution limit [Å] | 1.680 | 1.680 |
Rmerge | 0.062 | 0.315 |
Number of reflections | 18643 | 943 |
<I/σ(I)> | 11.8 | |
Completeness [%] | 98.2 | |
Redundancy | 3.1 | |
CC(1/2) | 0.993 | 0.893 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 30mM HEPES pH 7.5 50mM NaCl 0.5mM DTT 100mM sodium acetate pH 4.5 200mM Lithium sulphate 50% v/v PEG 400 |