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 |
