Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 80 |
Detector technology | PIXEL |
Collection date | 2017-11-03 |
Detector | DECTRIS PILATUS 300K |
Wavelength(s) | 1.54 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 61.400, 61.400, 155.300 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.941 - 2.600 |
R-factor | 0.2549 |
Rwork | 0.252 |
R-free | 0.30690 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ngo |
RMSD bond length | 0.002 |
RMSD bond angle | 0.678 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.8_1069) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.740 |
High resolution limit [Å] | 2.600 | 2.690 |
Rpim | 0.063 | 0.329 |
Number of reflections | 9820 | 454 |
<I/σ(I)> | 10.53 | 2.05 |
Completeness [%] | 99.9 | 99.9 |
Redundancy | 5.7 | 3.8 |
CC(1/2) | 0.954 | 0.814 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | Magnesium Chloride, HEPES pH 7.5, PEG 400 |