6TFG
Crystal structure of the ADP-binding domain of the NAD+ riboswitch with Adenosine 3-phosphate 5-phosphosulfate (APPS)
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 | 57.530, 59.030, 191.030 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.760 - 2.450 |
R-factor | 0.1946 |
Rwork | 0.193 |
R-free | 0.22530 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6tf0 |
RMSD bond length | 0.004 |
RMSD bond angle | 0.930 |
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] | 47.760 | 2.490 |
High resolution limit [Å] | 2.450 | 2.450 |
Rmerge | 0.038 | 1.900 |
Rpim | 0.017 | 0.820 |
Number of reflections | 12229 | 623 |
<I/σ(I)> | 21.7 | 1 |
Completeness [%] | 98.6 | 99.84 |
Redundancy | 6.3 | |
CC(1/2) | 0.999 | 0.530 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 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 |