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 | 2019-11-24 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.979 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 84.499, 32.350, 32.260 |
Unit cell angles | 90.00, 91.03, 90.00 |
Refinement procedure
Resolution | 32.255 - 2.300 |
R-factor | 0.2058 |
Rwork | 0.204 |
R-free | 0.24170 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ixj |
RMSD bond length | 0.009 |
RMSD bond angle | 0.998 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 32.255 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Rpim | 0.109 | 0.288 |
Number of reflections | 3487 | 350 |
<I/σ(I)> | 5.7 | 5 |
Completeness [%] | 87.2 | |
Redundancy | 1.8 | |
CC(1/2) | 0.940 | 0.395 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 295 | 20% MPD, 120 mM barium chloride, 30 mM sodium cacodylate, equilibrated against 30% MPD |