7ELR
Crystal structure of xanthine riboswitch with xanthine
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 | 2020-10-23 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.102 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 80.439, 96.247, 41.475 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.120 - 2.660 |
R-factor | 0.2443 |
Rwork | 0.243 |
R-free | 0.26480 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7elp |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
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 | 2.760 |
High resolution limit [Å] | 2.660 | 5.730 | 2.660 |
Rmerge | 0.100 | 0.080 | 1.047 |
Rmeas | 0.105 | 0.084 | 1.000 |
Rpim | 0.031 | 0.026 | 0.321 |
Total number of observations | 114293 | ||
Number of reflections | 9559 | 1075 | 816 |
<I/σ(I)> | 4.2 | ||
Completeness [%] | 98.0 | 99.7 | 84.9 |
Redundancy | 12 | 11.4 | 9.6 |
CC(1/2) | 0.994 | 0.912 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 289 | 0.1 M MES, pH 6.0, 0.2 M calcium acetate, 10% (v/v) isopropanol |