1A3I

X-RAY CRYSTALLOGRAPHIC DETERMINATION OF A COLLAGEN-LIKE PEPTIDE WITH THE REPEATING SEQUENCE (PRO-PRO-GLY)

Experimental procedure

Temperature [K]	259
Detector technology	DIFFRACTOMETER
Collection date	1991-10
Detector	ENRAF-NONIUS FAST
Spacegroup name	P 21 21 21
Unit cell lengths	26.820, 26.290, 20.180
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 1.970
R-factor	0.181
Rwork	0.181
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	IDEALIZED SEVEN-FOLD TRIPLE-HELIX
RMSD bond length	0.010
RMSD bond angle	2.110 *
Data reduction software	MOLEN
Phasing software	X-PLOR (3.1)
Refinement software	LALS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]		2.200
High resolution limit [Å]	1.970	1.970
Rmerge		98.000 *
Number of reflections	1136
Completeness [%]	100.0 *	98

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *		4 *	PEPTIDE WAS CRYSTALLIZED FROM 4.0 MG/ML PEPTIDE IN 10% ACETIC ACID, 0.1% SODIUM AZIDE, AND 3.0% PEG400.

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	peptide	4.0 (mg/ml)
2	1	drop	acetic acid	10 (%(v/v))
3	1	drop	sodium azide	0.1 (%(w/v))
4	1	drop	PEG400	3.0 (%(w/v))
5	1	reservoir	PEG400	6.0 (%(w/v))