9LLP

A designed collagen heterotrimer with varous stabilizing side chain pairs

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-05-14
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.9791
Spacegroup name	P 1 21 1
Unit cell lengths	28.610, 25.654, 60.000
Unit cell angles	90.00, 99.40, 90.00

Refinement procedure

Resolution	29.600 - 1.820
R-factor	0.2247
Rwork	0.221
R-free	0.26180
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond angle	8.925
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.600	1.890
High resolution limit [Å]	1.820	1.820
Rmeas	0.100
Rpim		0.042
Number of reflections	7723	7723
<I/σ(I)>	25.81
Completeness [%]	97.3
Redundancy	5.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	100Mm Ammonium citrate dibasic 18% PEG3350