6CXO
Complement component-9
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-03-29 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.20365 |
Spacegroup name | P 21 2 21 |
Unit cell lengths | 52.588, 149.213, 165.827 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.740 - 2.200 |
R-factor | 0.211 |
Rwork | 0.209 |
R-free | 0.25100 |
Structure solution method | MIRAS |
RMSD bond length | 0.010 |
RMSD bond angle | 0.750 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | CRANK2 |
Refinement software | BUSTER (2.10.3) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.740 | 2.320 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.075 | 1.359 |
Rmeas | 0.081 | |
Rpim | 0.023 | 0.514 |
Number of reflections | 66078 | 9323 |
<I/σ(I)> | 16.8 | 1.4 |
Completeness [%] | 98.7 | 97.3 |
Redundancy | 12.1 | 8.6 |
CC(1/2) | 1.000 | 0.656 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 293 | PEG 3350, sodium malonate, zinc chloride |