7U0Y
Crystal structure of Pepper RNA aptamer in complex with HBC599 ligand and Fab BL3-6
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-E |
Synchrotron site | APS |
Beamline | 24-ID-E |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-07-22 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.979180 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 61.247, 96.071, 148.165 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 58.670 - 2.660 |
R-factor | 0.2215 |
Rwork | 0.219 |
R-free | 0.25480 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4kzd |
RMSD bond length | 0.005 |
RMSD bond angle | 0.801 |
Data reduction software | MOSFLM |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 80.610 | 2.790 |
High resolution limit [Å] | 2.660 | 2.660 |
Rmerge | 0.461 | |
Rmeas | 0.643 | |
Rpim | 0.447 | |
Number of reflections | 25179 | 2793 |
<I/σ(I)> | 15.61 | 1.4 |
Completeness [%] | 96.8 | 82.2 |
Redundancy | 3.3 | 2.6 |
CC(1/2) | 0.997 | 0.750 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 0.2 M Ammonium Acetate, 0.1 M BIS-TRIS pH 6.5, 45% v/v (+/-)-2-Methyl-2,4-pentanediol |