Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-08-20 |
Detector | RIGAKU SATURN A200 |
Wavelength(s) | 1.542 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 142.010, 64.750, 116.380 |
Unit cell angles | 90.00, 103.39, 90.00 |
Refinement procedure
Resolution | 31.127 - 1.950 |
Rwork | 0.239 |
R-free | 0.28930 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Internal Model |
RMSD bond length | 0.010 |
RMSD bond angle | 1.665 |
Data reduction software | MOSFLM |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 31.130 | 1.990 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.139 | 1.319 |
Number of reflections | 75151 | 4003 |
<I/σ(I)> | 6.2 | |
Completeness [%] | 99.2 | |
Redundancy | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293 | ethylene glycol per PEG 8000, carboxylic acids mix, buffer system 2, |