8ORL
Crystal structure of the S23226G missense variant of titin domain Fn3-56
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 2 2 21 |
| Unit cell lengths | 70.348, 89.862, 98.309 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 55.390 - 1.430 |
| R-factor | 0.1604 |
| Rwork | 0.159 |
| R-free | 0.19410 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.982 |
| 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] | 55.390 | 1.480 |
| High resolution limit [Å] | 1.430 | 1.430 |
| Rmerge | 0.097 | 0.703 |
| Rpim | 0.041 | |
| Number of reflections | 57214 | 5192 |
| <I/σ(I)> | 11.25 | |
| Completeness [%] | 99.1 | |
| Redundancy | 6.5 | |
| CC(1/2) | 0.995 | 0.703 |
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 MES 10mM ZnCl2 20% (w/v) PEG6000 |
