8JJZ
Crystal structure of QQ-hNTAQ1 C28S
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 5C (4A) |
Synchrotron site | PAL/PLS |
Beamline | 5C (4A) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-11-17 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.9794 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 40.613, 64.574, 44.927 |
Unit cell angles | 90.00, 97.02, 90.00 |
Refinement procedure
Resolution | 40.310 - 2.030 |
R-factor | 0.1831 |
Rwork | 0.181 |
R-free | 0.22050 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.619 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.070 |
High resolution limit [Å] | 2.030 | 2.030 |
Number of reflections | 14806 | 679 |
<I/σ(I)> | 13.4 | |
Completeness [%] | 98.6 | |
Redundancy | 4 | |
CC(1/2) | 0.994 | 0.768 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 295.15 | 0.2 M Magnesium chloride hexahydrate, 0.1 M Tris pH 8.5, and 25 % (w/v) Polyethylene glycol (PEG) 3350 |