6TF2
Crystal structure of the ADP-binding domain of the NAD+ riboswitch with Adenosine 5-triphosphate (ATP)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-10-20 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9186 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 57.410, 59.030, 190.980 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 54.980 - 2.550 |
R-factor | 0.2085 |
Rwork | 0.207 |
R-free | 0.23850 |
Structure solution method | SAD |
RMSD bond length | 0.007 |
RMSD bond angle | 1.383 |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | AutoSol |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 54.980 | 2.530 |
High resolution limit [Å] | 2.490 | 2.490 |
Rmerge | 0.054 | 1.500 |
Rpim | 0.024 | 1.000 |
Number of reflections | 20079 | 563 |
<I/σ(I)> | 18.21 | 0.7 |
Completeness [%] | 98.7 | 99.1 |
Redundancy | 6.27 | |
CC(1/2) | 0.999 | 0.350 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 280 | 0.2 M Potassium Chloride, 0.1 M Mg Acetate, 0.05 M Sodium Cacodylate pH 6.8, 10% w/v Polyethylene Glycol 3350 |