8JJF
Crystal structure of QE-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 | 2020-07-20 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.9794 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 40.611, 64.337, 45.140 |
Unit cell angles | 90.00, 97.88, 90.00 |
Refinement procedure
Resolution | 34.110 - 1.510 |
R-factor | 0.1737 |
Rwork | 0.173 |
R-free | 0.18990 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.004 |
RMSD bond angle | 0.759 |
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 | 1.540 |
High resolution limit [Å] | 1.510 | 1.510 |
Number of reflections | 36172 | 1744 |
<I/σ(I)> | 15.96 | |
Completeness [%] | 99.6 | 98 |
Redundancy | 4.6 | 4.2 |
CC(1/2) | 0.994 | 0.574 |
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 |