8JJH
Crystal structure of QH-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 | 2021-07-29 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.9794 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 40.617, 64.494, 45.042 |
Unit cell angles | 90.00, 97.67, 90.00 |
Refinement procedure
Resolution | 40.250 - 1.610 |
R-factor | 0.1624 |
Rwork | 0.161 |
R-free | 0.18160 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 0.888 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.670 |
High resolution limit [Å] | 1.610 | 1.610 |
Number of reflections | 29791 | 2847 |
<I/σ(I)> | 25.97 | |
Completeness [%] | 99.4 | |
Redundancy | 5.2 | |
CC(1/2) | 0.998 | 0.981 |
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 |