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