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 | 2018-01-27 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.9184 |
Spacegroup name | H 3 |
Unit cell lengths | 278.203, 278.203, 661.500 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 38.003 - 3.700 |
R-factor | 0.2352 |
Rwork | 0.235 |
R-free | 0.23750 |
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] | 38.003 | 38.003 | 3.900 |
High resolution limit [Å] | 3.700 | 11.700 | 3.700 |
Rmerge | 0.091 | 0.817 | |
Rmeas | 0.265 | 0.106 | 1.137 |
Rpim | 0.146 | 0.052 | 0.788 |
Total number of observations | 338161 | 23021 | 10449 |
Number of reflections | 132293 | 6047 | 8520 |
<I/σ(I)> | 3.2 | 9.7 | 0.6 |
Completeness [%] | 64.9 | 93.8 | 28.5 |
Redundancy | 2.6 | 3.8 | 1.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 20 % PEG 10000, 0.1 M HEPES pH 7.5 |