7EOL
Crystal structure of the Pepper aptamer in complex with HBC497
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) | 0.979 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 92.676, 34.782, 57.909 |
Unit cell angles | 90.00, 127.66, 90.00 |
Refinement procedure
Resolution | 31.429 - 2.309 |
R-factor | 0.2212 |
Rwork | 0.219 |
R-free | 0.26710 |
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 | 2.380 |
High resolution limit [Å] | 2.300 | 4.950 | 2.300 |
Rmerge | 0.147 | 0.113 | 0.382 |
Rmeas | 0.160 | 0.124 | 0.416 |
Rpim | 0.063 | 0.049 | 0.162 |
Total number of observations | 41036 | ||
Number of reflections | 6446 | 668 | 636 |
<I/σ(I)> | 5 | ||
Completeness [%] | 98.8 | 97.9 | 99.7 |
Redundancy | 6.4 | 6.2 | 6.5 |
CC(1/2) | 0.989 | 0.887 |
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 |