6W46

Valine-Containing Collagen Peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-02-12
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9198
Spacegroup name	P 1 21 1
Unit cell lengths	37.300, 19.680, 40.810
Unit cell angles	90.00, 93.26, 90.00

Refinement procedure

Resolution	37.240 - 1.250
R-factor	0.192
Rwork	0.187
R-free	0.22700
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.338
Data reduction software	MOSFLM (7.2.2)
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.18RC2_3794)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.240	1.295
High resolution limit [Å]	1.250	1.250
Rmerge	0.115	1.081
Rmeas	0.141	1.314
Rpim	0.080	0.736
Number of reflections	16476	1611
<I/σ(I)>	5.7	1.7
Completeness [%]	97.5	96.44
Redundancy	2.9	3
CC(1/2)	0.994	0.574

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.6	298	Crystallization: 0.01 M Li2SO4 Monohydrate, 0.094 M Tris HCl, 30% PEG 4000 Cryoprotectant: 20% Glycerol