6M80
Collagen peptide containing aza-proline and aza-glycine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-03-04 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9791 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 27.538, 18.175, 48.834 |
Unit cell angles | 90.00, 91.92, 90.00 |
Refinement procedure
Resolution | 48.807 - 1.100 |
R-factor | 0.1186 |
Rwork | 0.117 |
R-free | 0.14430 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5k86 |
RMSD bond length | 0.025 |
RMSD bond angle | 1.964 |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.22) |
Phasing software | PHASER |
Refinement software | PHENIX ((dev_3126: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.810 | 1.139 |
High resolution limit [Å] | 1.100 | 1.100 |
Rmerge | 0.031 | 0.427 |
Rmeas | 0.044 | 0.603 |
Rpim | 0.031 | 0.427 |
Number of reflections | 19847 | 1999 |
<I/σ(I)> | 9.92 | 1.9 |
Completeness [%] | 98.6 | 98.76 |
Redundancy | 2 | 2 |
CC(1/2) | 0.997 | 0.627 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.6 | 277 | 0.1 M Tris-HCl, 0.01 M Li2SO4 monohydrate, 30% (w/v) PEG4000 |