5YAN
Deconstructing the Salt-Bridge Network of a Computationally Designed Collagen Heterotrimer
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U1 |
| Synchrotron site | SSRF |
| Beamline | BL17U1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-08-25 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9798 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 27.597, 51.391, 128.522 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.720 - 1.770 |
| R-factor | 0.24 |
| Rwork | 0.238 |
| R-free | 0.28800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.110 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | BUSTER (2.10.2) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 47.720 |
| High resolution limit [Å] | 1.770 |
| Number of reflections | 18597 |
| <I/σ(I)> | 20.1 |
| Completeness [%] | 98.1 |
| Redundancy | 5.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 60% v/v (+/-)-2-methyl-2,4-pentanediol, 40m M sodium cacodylat-etrihydrate at pH 7.0, 80 mM Potassium chloride and 12 mM Sperminetetrahydrochloride. |
