8TW0
Crystal Structure of a synthetic ABC heterotrimeric Collagen-like Peptide at 1.53 A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SEALED TUBE |
Source details | RIGAKU PhotonJet-S |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-04-28 |
Detector | RIGAKU HyPix-Arc 150 |
Wavelength(s) | 1.54184 |
Spacegroup name | P 1 |
Unit cell lengths | 27.706, 27.876, 28.396 |
Unit cell angles | 109.42, 111.80, 95.73 |
Refinement procedure
Resolution | 24.160 - 1.530 |
R-factor | 0.1514 |
Rwork | 0.150 |
R-free | 0.18520 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3t4f |
RMSD bond length | 0.006 |
RMSD bond angle | 0.940 |
Data reduction software | CrysalisPro (171.42.90a) |
Data scaling software | CrysalisPro (171.42.90a) |
Phasing software | PHASER (2.8.3) |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 25.400 | 25.400 | 1.590 |
High resolution limit [Å] | 1.530 | 3.300 | 1.530 |
Rmerge | 0.080 | 0.025 | 0.448 |
Rmeas | 0.096 | 0.027 | 0.665 |
Rpim | 0.029 | 0.009 | 0.331 |
Total number of observations | 85240 | 9980 | 1642 |
Number of reflections | 10535 | 1081 | 802 |
<I/σ(I)> | 23.54 | 67.09 | 1.77 |
Completeness [%] | 97.2 | 99.8 | 73.5 |
Redundancy | 8.1 | 9.2 | 2 |
CC(1/2) | 0.999 | 1.000 | 0.714 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.2 M Ammonium acetate, 0.1 M HEPES pH 7.5, 25 % (w/v) Polyethylene glycol 3,350 |