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 | I 2 3 |
Unit cell lengths | 551.800, 551.800, 551.800 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.958 - 4.018 |
R-factor | 0.2426 |
Rwork | 0.242 |
R-free | 0.24980 |
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] | 49.958 | 49.958 | 4.240 |
High resolution limit [Å] | 4.000 | 11.770 | 4.000 |
Rmerge | 0.882 | 0.110 | 6.402 |
Rmeas | 0.893 | 0.111 | 6.482 |
Total number of observations | 9650681 | ||
Number of reflections | 229056 | 9293 | 33519 |
<I/σ(I)> | 5.2 | 31.41 | 0.6 |
Completeness [%] | 98.3 | 98.5 | 90.1 |
Redundancy | 42.132 | 40.002 | 39.967 |
CC(1/2) | 0.994 | 0.999 | 0.201 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 30 % MPD, 0.1 M MES pH 6.5 |