Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-01-24 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.9184 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 415.014, 334.996, 291.781 |
Unit cell angles | 90.00, 134.66, 90.00 |
Refinement procedure
Resolution | 49.140 - 3.484 |
R-factor | 0.2685 |
Rwork | 0.269 |
R-free | 0.27100 |
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] | 49.168 | 49.168 | 3.690 |
High resolution limit [Å] | 3.480 | 10.250 | 3.480 |
Rmerge | 0.449 | 0.059 | 2.461 |
Rmeas | 0.531 | 0.070 | 2.903 |
Total number of observations | 1226578 | ||
Number of reflections | 353695 | 13916 | 54664 |
<I/σ(I)> | 3.18 | 18.09 | 0.48 |
Completeness [%] | 97.9 | 96 | 94.2 |
Redundancy | 3.468 | 3.274 | 3.464 |
CC(1/2) | 0.966 | 0.995 | 0.180 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | 12.5 % PEG 3350, 0.05 M Bis-tris pH 5.5 |