1A3J

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

Experimental procedure

Source type	SYNCHROTRON
Source details	CHESS BEAMLINE A1
Synchrotron site	CHESS
Beamline	A1
Temperature [K]	293
Detector technology	CCD
Collection date	1994-10
Detector	PRINCETON 2K
Spacegroup name	P 21 21 21
Unit cell lengths	27.010, 26.420, 20.420
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 1.600
R-factor	0.213
Rwork	0.213
RMSD bond length	0.009
RMSD bond angle	1.990 *
Data reduction software	DENZO
Data scaling software	HKL ((SCALEPACK))
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]		1.800
High resolution limit [Å]	1.600	1.600
Rmerge	0.049
Number of reflections	1836
Completeness [%]	86.0	60
Redundancy	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	5.5 *		PEPTIDE WAS CRYSTALIZED FROM 7.5 MG/ML PEPTIDE (DISSOLVED IN 5% V/V AQUEOUS ACETIC ACID) AND 0.05 M SODIUM ACETATE.

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	peptide	7.5 (mg/ml)
2	1	drop	acetic acid	5 (%(v/v))
3	1	drop	sodium acetate	0.05 (M)
4	1	reservoir	acetate	0.1 (M)