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 |