7EOG
Crystal structure of the Pepper aptamer in complex with HBC, iridium hexammine soak
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 | 2019-01-04 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.102 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 92.925, 34.771, 58.552 |
Unit cell angles | 90.00, 128.11, 90.00 |
Refinement procedure
Resolution | 46.073 - 1.500 |
R-factor | 0.1934 |
Rwork | 0.192 |
R-free | 0.21820 |
Structure solution method | SAD |
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 | 1.550 |
High resolution limit [Å] | 1.500 | 3.230 | 1.500 |
Rmerge | 0.102 | 0.075 | 0.726 |
Rmeas | 0.110 | 0.081 | 0.798 |
Rpim | 0.041 | 0.031 | 0.324 |
Number of reflections | 41597 | 2427 | 1759 |
<I/σ(I)> | 4.3 | ||
Completeness [%] | 91.3 | 97.3 | 74.5 |
Redundancy | 6.6 | 6.8 | 5.2 |
CC(1/2) | 0.996 | 0.695 |
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 |