7EOK
Crystal structure of the Pepper aptamer in complex with HBC485
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 | 2019-11-09 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.102 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 93.982, 37.720, 56.740 |
Unit cell angles | 90.00, 127.08, 90.00 |
Refinement procedure
Resolution | 45.222 - 2.700 |
R-factor | 0.2039 |
Rwork | 0.202 |
R-free | 0.24140 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7eog |
Data reduction software | HKL-3000 |
Data scaling software | HKL-2000 |
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 | 2.800 |
High resolution limit [Å] | 2.700 | 5.810 | 2.700 |
Rmerge | 0.147 | 0.088 | 0.661 |
Rmeas | 0.163 | 0.098 | 0.772 |
Rpim | 0.069 | 0.042 | 0.388 |
Total number of observations | 22403 | ||
Number of reflections | 4422 | 479 | 418 |
<I/σ(I)> | 4.3 | ||
Completeness [%] | 97.3 | 97.8 | 92.5 |
Redundancy | 5.1 | 5.8 | 3.3 |
CC(1/2) | 0.994 | 0.771 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 289 | 0.1 M ammonium chloride, 0.005 M magnesium chloride, 0.025 M HEPES, pH 7.0, 1.25 M 1,6-hexanediol, 40% MPD |