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 | 2013-11-27 |
Detector | RAYONIX MX-225 |
Wavelength(s) | 0.91841 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 70.826, 74.486, 82.297 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.180 - 1.510 |
R-factor | 0.16293 |
Rwork | 0.162 |
R-free | 0.18571 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.012 |
RMSD bond angle | 1.888 |
Data reduction software | xia2 |
Data scaling software | DIALS |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.180 | 1.564 |
High resolution limit [Å] | 1.509 | 1.509 |
Rmerge | 0.072 | |
Number of reflections | 68885 | 6782 |
<I/σ(I)> | 16.23 | |
Completeness [%] | 99.9 | |
Redundancy | 4.6 | |
CC(1/2) | 0.652 |
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 291K |