6VZX
Structure of a Covalently Captured Collagen Triple Helix using Lysine-Glutamate Pairs
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-10-27 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.033 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 134.835, 14.113, 24.568 |
| Unit cell angles | 90.00, 90.35, 90.00 |
Refinement procedure
| Resolution | 33.710 - 1.370 |
| R-factor | 0.1582 |
| Rwork | 0.157 |
| R-free | 0.17740 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3t4f |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.661 |
| Data reduction software | xia2 (0.5.893-gb176367e-dials-1.14) |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 33.710 | 33.710 | 1.410 |
| High resolution limit [Å] | 1.370 | 6.120 | 1.370 |
| Rmerge | 0.149 | 0.076 | 1.014 |
| Rmeas | 0.157 | 0.081 | 1.096 |
| Rpim | 0.046 | 0.026 | 0.406 |
| Total number of observations | 107201 | 1536 | 3090 |
| Number of reflections | 9559 | 138 | 450 |
| <I/σ(I)> | 8.7 | 16.1 | 1.7 |
| Completeness [%] | 93.5 | 99.1 | 59.5 |
| Redundancy | 11.2 | 11.1 | 6.9 |
| CC(1/2) | 0.998 | 0.998 | 0.727 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 3.5 M sodium formate, 0.1 M BIS-TRIS, pH 7.0 |
