5LTC
Crystal structure of doubly spin labelled VcSiaP R125
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.3 |
| Synchrotron site | BESSY |
| Beamline | 14.3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-05-04 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.89429 |
| Spacegroup name | P 21 2 21 |
| Unit cell lengths | 72.270, 78.100, 116.240 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.290 - 2.101 |
| R-factor | 0.2212 |
| Rwork | 0.219 |
| R-free | 0.26250 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4mag |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.354 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.290 | 2.176 |
| High resolution limit [Å] | 2.101 | 2.101 |
| Rmerge | 0.043 | 0.510 |
| Number of reflections | 37987 | |
| <I/σ(I)> | 7.25 | 1.2 |
| Completeness [%] | 97.0 | 94 |
| Redundancy | 1.9 | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 0.2 M lithium sulfate, 0.1 M Tris pH 8.5, 1.26 M ammonium sulfate |
