1QSU

CRYSTAL STRUCTURE OF THE TRIPLE-HELICAL COLLAGEN-LIKE PEPTIDE, (PRO-HYP-GLY)4-GLU-LYS-GLY(PRO-HYP-GLY)5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ENRAF-NONIUS
Temperature [K]	277
Detector technology	DIFFRACTOMETER
Collection date	1993-10-15
Detector	ENRAF-NONIUS CAD4
Spacegroup name	P 1 21 1
Unit cell lengths	29.326, 26.573, 45.885
Unit cell angles	90.00, 96.04, 90.00

Refinement procedure

Resolution	20.000 - 1.750
R-factor	0.18 *
Rwork	0.180
R-free	0.22700
RMSD bond length	0.006
RMSD bond angle	1.240 *
Data reduction software	CAD4
Data scaling software	MOLEN
Phasing software	MERLOT
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]		1.810
High resolution limit [Å]	1.750	1.750
Number of reflections	5745 *
Completeness [%]	100.0	99.9 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	4 *	PEG 4K, tris HCl, Li2SO4, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	peptide	10 (mg/ml)
2	1	drop	PEG4000	15 (%)
3	1	drop	Tris-HCl	0.1 (M)
4	1	drop		0.3 (M)
5	1	reservoir	Tris	0.1 (M)
6	1	reservoir		0.6 (M)
7	1	reservoir	PEG4000	30 (%)