7LXP

Collagen Mimetic Peptide with an Xaa-position Aza-proline

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-12-12
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9792
Spacegroup name	P 1 21 1
Unit cell lengths	51.139, 19.520, 60.591
Unit cell angles	90.00, 109.37, 90.00

Refinement procedure

Resolution	48.240 - 1.400
Rwork	0.203
R-free	0.23950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5y45
RMSD bond length	0.024
RMSD bond angle	1.563
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]	48.240	1.450
High resolution limit [Å]	1.400	1.400
Rmerge	0.071	0.334
Rmeas	0.101	0.472
Rpim	0.071	0.334
Number of reflections	22594	2095
<I/σ(I)>	6.58	2.53
Completeness [%]	98.1
Redundancy	2
CC(1/2)	0.991	0.790

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.6	298	30% PEG 4000, 0.094 M Tris-HCl, 0.1 M Li2SO4 (H2O)