4Y3K
Structure of Vaspin mutant E379S
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-01-30 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.91841 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 132.959, 151.353, 61.602 |
Unit cell angles | 90.00, 98.43, 90.00 |
Refinement procedure
Resolution | 48.370 - 2.200 |
R-factor | 0.1878 |
Rwork | 0.186 |
R-free | 0.21930 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4if8 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.120 |
Data reduction software | XDS (November 11, 2013) |
Data scaling software | XSCALE (November 11, 2013) |
Phasing software | REFMAC (5.7.0029) |
Refinement software | BUSTER (2.10.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.370 | 2.260 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.125 | 1.413 |
Number of reflections | 60841 | |
<I/σ(I)> | 7.2 | 0.9 |
Completeness [%] | 99.8 | 99.8 |
Redundancy | 3.4 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 292 | 2.5 M ammonium sulfate, 0.52 mM heparin oligosacchraide dp4, 0.1 M sodium citrate |