8XZN
Crystal structure of folE riboswitch with BH4
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 | 2021-12-11 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97853 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 49.277, 57.490, 62.914 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 31.460 - 1.820 |
R-factor | 0.2162 |
Rwork | 0.215 |
R-free | 0.24430 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 1.187 |
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 | 1.850 |
High resolution limit [Å] | 1.820 | 4.940 | 1.820 |
Rmerge | 0.080 | 0.073 | 1.111 |
Rmeas | 0.084 | 0.077 | 1.161 |
Rpim | 0.024 | 0.023 | 0.330 |
Total number of observations | 210385 | ||
Number of reflections | 16566 | 927 | 804 |
<I/σ(I)> | 6 | ||
Completeness [%] | 99.9 | 99.7 | 99.8 |
Redundancy | 12.7 | 11.6 | 11.8 |
CC(1/2) | 0.979 | 0.995 | 0.734 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 289 | 0.08 M Sodium chloride, 0.04 M Sodium cacodylate trihydrate pH 7.0, 30% v/v MPD, 0.012 M Spermine tetrahydrochloride |