Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX IV BEAMLINE BioMAX |
Synchrotron site | MAX IV |
Beamline | BioMAX |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-10-19 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97776 |
Spacegroup name | H 3 2 |
Unit cell lengths | 341.900, 341.900, 1253.640 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 49.955 - 3.800 |
R-factor | 0.2199 |
Rwork | 0.220 |
R-free | 0.22200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2ms2 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | FFT |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 49.955 | 49.955 | 4.010 |
High resolution limit [Å] | 3.780 | 11.080 | 3.780 |
Rmerge | 0.597 | 0.137 | 2.764 |
Rmeas | 0.613 | 0.141 | 2.837 |
Total number of observations | 5672505 | ||
Number of reflections | 275564 | 11506 | 40587 |
<I/σ(I)> | 4.74 | 19.13 | 1 |
Completeness [%] | 98.3 | 98.6 | 90 |
Redundancy | 20.585 | 18.396 | 19.223 |
CC(1/2) | 0.993 | 0.998 | 0.467 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 293 | 30% MPD, 0.02 M calcium chloride, 0.1 M sodium acetate pH 4.6 |