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 |
