7LXQ

Collagen Mimetic Peptide with a Yaa-position Aza-proline

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	2019-12-13
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9201
Spacegroup name	C 1 2 1
Unit cell lengths	116.871, 19.477, 26.639
Unit cell angles	90.00, 91.65, 90.00

Refinement procedure

Resolution	29.210 - 1.300
Rwork	0.144
R-free	0.17300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1cag
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.210	1.347
High resolution limit [Å]	1.300	1.300
Rmerge	0.104	0.296
Rmeas	0.114	0.338
Rpim	0.046	0.159
Number of reflections	15047	1405
<I/σ(I)>	17.42	7.76
Completeness [%]	98.6	93.67
Redundancy	6.1
CC(1/2)	0.994	0.918

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.6	277	30% PEG 4000, 0.094 M Tris-HCl, 0.1 M LiSO4 (H2O)