8T9V
RTA-RUNT-59 complex structure
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 | 2021-09-27 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.979 |
Spacegroup name | P 63 2 2 |
Unit cell lengths | 169.078, 169.078, 54.772 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 48.809 - 1.945 |
R-factor | 0.178 |
Rwork | 0.176 |
R-free | 0.20590 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.015 |
RMSD bond angle | 1.195 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.980 |
High resolution limit [Å] | 1.945 | 5.290 | 1.950 |
Rmerge | 0.140 | 0.047 | 3.665 |
Rmeas | 0.048 | 3.755 | |
Rpim | 0.009 | 0.808 | |
Number of reflections | 34295 | 1910 | 1684 |
<I/σ(I)> | 4.2 | ||
Completeness [%] | 100.0 | 99.8 | 100 |
Redundancy | 20 | 28.7 | 21.6 |
CC(1/2) | 1.000 | 0.528 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 200 mM di-Ammonium tartrate and 20% PEG 3350 |