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 |
