8H7M
Structure of nanobody 11A in complex with parathion
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL02U1 |
Synchrotron site | SSRF |
Beamline | BL02U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-11-01 |
Detector | DECTRIS EIGER2 S 9M |
Wavelength(s) | 0.979176 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 67.824, 97.355, 91.798 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.680 - 1.870 |
R-factor | 0.1854 |
Rwork | 0.184 |
R-free | 0.21990 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 8h7i |
RMSD bond length | 0.006 |
RMSD bond angle | 1.304 |
Data reduction software | DIALS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 55.650 | 1.910 |
High resolution limit [Å] | 1.870 | 1.870 |
Rmerge | 0.123 | 0.550 |
Number of reflections | 25587 | 1620 |
<I/σ(I)> | 7.6 | 2.2 |
Completeness [%] | 99.8 | 98.1 |
Redundancy | 5.3 | 5.3 |
CC(1/2) | 0.992 | 0.820 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.4 | 293.15 | 0.1 M citric acid, pH 3.5, 0.8 M ammonium sulfate |