Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X6A |
Synchrotron site | NSLS |
Beamline | X6A |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-06-19 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 1.00001 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 52.854, 74.588, 68.290 |
Unit cell angles | 90.00, 102.54, 90.00 |
Refinement procedure
Resolution | 66.660 - 1.390 |
R-factor | 0.15546 |
Rwork | 0.154 |
R-free | 0.18266 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.010 |
RMSD bond angle | 1.524 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0232) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 66.660 | 1.549 |
High resolution limit [Å] | 1.390 | 1.390 |
Rmeas | 0.062 | 0.860 |
Number of reflections | 67581 | 3478 |
<I/σ(I)> | 11.1 | |
Completeness [%] | 92.4 | |
Redundancy | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1M KSCN 25% PEG 3350 |