Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-E |
Synchrotron site | APS |
Beamline | 24-ID-E |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-08-19 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9792 |
Spacegroup name | P 1 |
Unit cell lengths | 46.440, 62.560, 107.979 |
Unit cell angles | 91.76, 98.05, 111.83 |
Refinement procedure
Resolution | 53.240 - 2.300 |
R-factor | 0.1705 |
Rwork | 0.168 |
R-free | 0.22890 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2iip |
Data reduction software | iMOSFLM |
Data scaling software | SCALA (3.3.22) |
Phasing software | PHASER |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 106.481 | 53.240 | 2.420 |
High resolution limit [Å] | 2.300 | 7.270 | 2.300 |
Rmerge | 0.069 | 0.583 | |
Rmeas | 0.167 | 0.082 | 0.689 |
Rpim | 0.088 | 0.044 | 0.365 |
Total number of observations | 147482 | ||
Number of reflections | 44070 | 1493 | 6614 |
<I/σ(I)> | 7.9 | 6.8 | 0.9 |
Completeness [%] | 89.1 | 95.4 | 91.6 |
Redundancy | 3.3 | 3.4 | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 290.15 | 1.5 ammonium sulfate, 0.1 M HEPES pH 7.2 |