Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE BW7A |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | BW7A |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | Mar |
Wavelength(s) | 0.96 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 79.656, 123.075, 57.239 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.700 |
R-factor | 0.214 |
Rwork | 0.212 |
R-free | 0.25500 |
RMSD bond length | 0.019 |
RMSD bond angle | 1.745 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.2.25) |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 66.872 | 37.090 | 1.790 |
High resolution limit [Å] | 1.700 | 5.380 | 1.700 |
Rmerge | 0.064 | 0.029 | 0.493 |
Total number of observations | 10637 | 44437 | |
Number of reflections | 60078 | ||
<I/σ(I)> | 9.308 | 17.1 | 1.6 |
Completeness [%] | 96.2 | 93.6 | 94.5 |
Redundancy | 5.3 | 5.3 | 5.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 289 | 0.1M Tris, 0.4M sodium nitrate, 40% PEG3350, pH 7.5, vapor diffusion, hanging drop, temperature 289K |