7D82
Crystal Structure of the Domain2 of NAD+ Riboswitch with nicotinamide adenine dinucleotide (NAD+), soaked in Mn2+
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 | 2020-05-12 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.2398 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 75.916, 75.916, 50.289 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 27.516 - 2.489 |
R-factor | 0.2238 |
Rwork | 0.221 |
R-free | 0.27130 |
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] | 30.000 | 30.000 | 2.540 |
High resolution limit [Å] | 2.489 | 6.760 | 2.500 |
Rmerge | 0.204 | 0.082 | 1.869 |
Rmeas | 0.210 | 0.084 | 1.930 |
Rpim | 0.047 | 0.019 | 0.474 |
Number of reflections | 11307 | 344 | 304 |
<I/σ(I)> | 2.3 | ||
Completeness [%] | 99.5 | 99.7 | 96.8 |
Redundancy | 19.2 | 18.6 | 16.2 |
CC(1/2) | 0.998 | 0.773 |
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 |