8GXC
Crystal structure of NAD+ -II riboswitch in complex with NMN
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-07-13 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.102 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 57.588, 122.677, 154.378 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.530 - 2.500 |
R-factor | 0.2264 |
Rwork | 0.224 |
R-free | 0.26890 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 8gxb |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.590 |
High resolution limit [Å] | 2.500 | 5.380 | 2.500 |
Rmerge | 0.242 | 0.177 | 1.069 |
Rmeas | 0.253 | 0.185 | 1.116 |
Rpim | 0.071 | 0.054 | 0.313 |
Total number of observations | 505554 | ||
Number of reflections | 38926 | 4156 | 3780 |
<I/σ(I)> | 2.5 | ||
Completeness [%] | 100.0 | 100 | 99.9 |
Redundancy | 13 | 12.3 | 12.2 |
CC(1/2) | 0.981 | 0.839 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 289 | 0.2M KCl, 0.01M MgCl2, 0.05M MES pH 5.6, 5% PEG8000 |