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 | 2017-11-04 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.9184 |
Spacegroup name | H 3 2 |
Unit cell lengths | 419.731, 419.731, 761.144 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 97.455 - 3.300 |
R-factor | 0.2478 |
Rwork | 0.248 |
R-free | 0.25060 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2ms2 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.22) |
Phasing software | FFT |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 97.455 | 97.455 | 3.480 |
High resolution limit [Å] | 3.300 | 10.440 | 3.300 |
Rmerge | 0.055 | 2.056 | |
Rmeas | 0.469 | 0.063 | 2.349 |
Rpim | 0.212 | 0.030 | 1.113 |
Total number of observations | 1819911 | 58024 | 226817 |
Number of reflections | 380562 | 12463 | 54974 |
<I/σ(I)> | 4.3 | 17.8 | 0.7 |
Completeness [%] | 99.5 | 99.4 | 98.9 |
Redundancy | 4.8 | 4.7 | 4.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 9 | 293 | 36% PEG 300, 0.05 M Bicine pH 9.0 |