Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2014-08-12 |
Detector | MAR scanner 300 mm plate |
Wavelength(s) | 1.54190 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 79.507, 79.507, 138.224 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 38.322 - 2.180 |
Rwork | 0.206 |
R-free | 0.24610 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3dai |
RMSD bond length | 0.008 |
RMSD bond angle | 1.769 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.322 | 38.290 |
High resolution limit [Å] | 2.180 | 2.180 |
Rmerge | 0.059 | 0.016 |
Rmeas | 0.081 | 0.022 |
Rpim | 0.054 | 0.015 |
Number of reflections | 13347 | 13347 |
<I/σ(I)> | 8.4 | |
Completeness [%] | 95.2 | 95.2 |
Redundancy | 2.4 | 2.2 |
CC(1/2) | 0.997 | 0.999 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1M BisTris pH 6-7, 1.7-2.1M Ammonium sulphate |