3U83
Crystal structure of nectin-1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-05-06 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97916 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 127.520, 127.520, 190.555 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 40.774 - 2.499 |
| R-factor | 0.1873 |
| Rwork | 0.185 |
| R-free | 0.23010 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3alp |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.003 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.5_2)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.590 |
| High resolution limit [Å] | 2.499 | 2.500 |
| Rmerge | 0.123 | 0.594 |
| Number of reflections | 20827 | |
| <I/σ(I)> | 20.933 | 4.739 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 9.1 | 9.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 289 | 20% PEG 2000, 0.2M Trimethylamine N-oxidedihydrate, 0.1M Tris, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
