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 | CCD |
Collection date | 2014-11-21 |
Detector | RAYONIX MX-225 |
Wavelength(s) | 0.91841 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 71.562, 73.674, 85.108 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.590 - 1.400 |
R-factor | 0.18525 |
Rwork | 0.184 |
R-free | 0.20584 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.013 |
RMSD bond angle | 1.958 |
Data reduction software | DIALS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.590 | 1.450 |
High resolution limit [Å] | 1.400 | 1.400 |
Rmerge | 0.070 | 1.217 |
Number of reflections | 88731 | 8546 |
<I/σ(I)> | 15.86 | |
Completeness [%] | 99.5 | |
Redundancy | 5.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 20% PEG 3350, 150 MM POTASSIUM ACETATE, 0.1 M TRIS, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature |