6W46
Valine-Containing Collagen Peptide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS-II BEAMLINE 17-ID-1 |
Synchrotron site | NSLS-II |
Beamline | 17-ID-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-02-12 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.9198 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 37.300, 19.680, 40.810 |
Unit cell angles | 90.00, 93.26, 90.00 |
Refinement procedure
Resolution | 37.240 - 1.250 |
R-factor | 0.192 |
Rwork | 0.187 |
R-free | 0.22700 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.338 |
Data reduction software | MOSFLM (7.2.2) |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER (2.8.3) |
Refinement software | PHENIX (1.18RC2_3794) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 37.240 | 1.295 |
High resolution limit [Å] | 1.250 | 1.250 |
Rmerge | 0.115 | 1.081 |
Rmeas | 0.141 | 1.314 |
Rpim | 0.080 | 0.736 |
Number of reflections | 16476 | 1611 |
<I/σ(I)> | 5.7 | 1.7 |
Completeness [%] | 97.5 | 96.44 |
Redundancy | 2.9 | 3 |
CC(1/2) | 0.994 | 0.574 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.6 | 298 | Crystallization: 0.01 M Li2SO4 Monohydrate, 0.094 M Tris HCl, 30% PEG 4000 Cryoprotectant: 20% Glycerol |