6TF1
Crystal structure of the ADP-binding domain of the NAD+ riboswitch with Adenosine diphosphate (ADP)
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 | 57.585, 59.014, 190.587 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 56.370 - 2.400 |
R-factor | 0.2172 |
Rwork | 0.216 |
R-free | 0.24470 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6tf0 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.609 |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 56.370 | 2.270 |
High resolution limit [Å] | 2.230 | 2.230 |
Rmerge | 0.087 | 1.500 |
Rpim | 0.042 | 1.000 |
Number of reflections | 16012 | 787 |
<I/σ(I)> | 9.5 | 0.2 |
Completeness [%] | 98.6 | 96.4 |
Redundancy | 5.3 | |
CC(1/2) | 0.970 | 0.780 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 280 | 0.2 M Potassium Chloride, 0.1 M Mg Acetate, 0.05 M Sodium Cacodylate pH 7.0, 10% w/v Polyethylene Glycol 3350 |