7VNX
Crystal structure of TkArkI
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-17A |
Synchrotron site | Photon Factory |
Beamline | BL-17A |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-02-23 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.0 |
Spacegroup name | P 61 |
Unit cell lengths | 66.850, 66.850, 98.280 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 37.464 - 1.801 |
R-factor | 0.1727 |
Rwork | 0.171 |
R-free | 0.20500 |
Structure solution method | SAD |
RMSD bond length | 0.012 |
RMSD bond angle | 1.123 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.12-2829_1309) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 37.464 | 37.464 | 1.850 |
High resolution limit [Å] | 1.800 | 8.060 | 1.800 |
Rmerge | 0.069 | 0.029 | 1.935 |
Rmeas | 0.070 | 0.029 | 1.959 |
Total number of observations | 911513 | ||
Number of reflections | 23021 | 267 | 1683 |
<I/σ(I)> | 35.18 | 112.59 | 2.55 |
Completeness [%] | 100.0 | 99.3 | 99.8 |
Redundancy | 39.595 | 35.03 | 40.179 |
CC(1/2) | 1.000 | 1.000 | 0.857 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 25% ethylene glycol |