7YTQ
Human langerin carbohydrate recognition domain in complex with an alpha-mannoside ligand
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2022-04-23 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 0.97856 |
| Spacegroup name | P 42 |
| Unit cell lengths | 80.030, 80.030, 90.070 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.940 - 1.600 |
| R-factor | 0.1841 |
| Rwork | 0.182 |
| R-free | 0.21340 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3c22 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.878 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 19.940 | 19.940 | 1.630 |
| High resolution limit [Å] | 1.600 | 8.760 | 1.600 |
| Rmerge | 0.085 | 0.054 | 1.002 |
| Rmeas | 0.092 | 0.059 | 1.078 |
| Rpim | 0.033 | 0.023 | 0.395 |
| Number of reflections | 74724 | 439 | 3721 |
| <I/σ(I)> | 12.4 | 27 | 2.1 |
| Completeness [%] | 100.0 | 91.9 | 100 |
| Redundancy | 7.6 | 6.8 | 7.4 |
| CC(1/2) | 0.998 | 0.997 | 0.686 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 100 mM HEPES, 200 mM MgCl2, 28% PEG 3350 |
