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. |