7D7Y
Crystal Structure of the Domain1 of NAD+ Riboswitch with adenosine triphosphate (ATP)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL18U1 |
Synchrotron site | SSRF |
Beamline | BL18U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-01-13 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97930 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 56.528, 57.703, 196.758 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.264 - 2.800 |
R-factor | 0.2211 |
Rwork | 0.220 |
R-free | 0.24000 |
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 | 2.490 |
High resolution limit [Å] | 2.400 | 5.170 | 2.400 |
Rmerge | 0.127 | 0.075 | 1.327 |
Rmeas | 0.132 | 0.078 | 1.397 |
Rpim | 0.037 | 0.022 | 0.423 |
Total number of observations | 148513 | ||
Number of reflections | 12319 | 1421 | 924 |
<I/σ(I)> | 3.2 | ||
Completeness [%] | 93.5 | 99.9 | 72 |
Redundancy | 12.1 | 12.3 | 9.7 |
CC(1/2) | 0.996 | 0.782 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 289 | 0.1 M MES pH 6.5, 1.6 M MgSO4 |