Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-1A |
Synchrotron site | Photon Factory |
Beamline | BL-1A |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-05-28 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.1 |
Spacegroup name | P 62 2 2 |
Unit cell lengths | 115.995, 115.995, 101.042 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 44.980 - 3.450 |
R-factor | 0.2838 |
Rwork | 0.283 |
R-free | 0.28980 |
Structure solution method | SAD |
RMSD bond length | 0.011 |
RMSD bond angle | 1.706 |
Data reduction software | iMOSFLM |
Data scaling software | pointless |
Phasing software | MOLREP |
Refinement software | REFMAC (v1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.980 | 3.573 |
High resolution limit [Å] | 3.450 | 3.450 |
Rmerge | 0.151 | 1.212 |
Rmeas | 0.153 | 1.232 |
Rpim | 0.029 | 0.221 |
Number of reflections | 5663 | 553 |
<I/σ(I)> | 23.08 | 4.26 |
Completeness [%] | 99.7 | |
Redundancy | 28 | |
CC(1/2) | 0.999 | 0.963 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 290 | 0.1M Bis-Tris propane-HCl pH 7.0 1.0M ammonium citrate tribasic |