7D81
Crystal Structure of the Domain2 of NAD+ Riboswitch with nicotinamide adenine dinucleotide (NAD+)
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 | 2019-11-09 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97853 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 76.026, 76.026, 50.468 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 30.364 - 2.100 |
R-factor | 0.2259 |
Rwork | 0.224 |
R-free | 0.25070 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7d7v |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.180 |
High resolution limit [Å] | 2.100 | 4.520 | 2.100 |
Rmerge | 0.081 | 0.046 | 1.132 |
Rmeas | 0.083 | 0.048 | 1.167 |
Rpim | 0.019 | 0.011 | 0.281 |
Total number of observations | 191116 | ||
Number of reflections | 10115 | 1085 | 995 |
<I/σ(I)> | 5.4 | ||
Completeness [%] | 100.0 | 99.9 | 100 |
Redundancy | 18.9 | 18 | 16.2 |
CC(1/2) | 0.999 | 0.875 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 289 | 0.2 M NaCl 0.1 M CHES pH 9.5, 50% PEG400 |