1EI8

STRUCTURAL CONSEQUENCES OF A DISCONTINUITY IN THE REPEATING TRIPEPTIDE SEQUENCE OF A COLLAGEN-LIKE TRIPLE-HELICAL PEPTIDE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	123
Detector technology	IMAGE PLATE
Collection date	1995-10-07
Detector	RIGAKU RAXIS II
Spacegroup name	P 1
Unit cell lengths	14.150, 23.770, 82.210
Unit cell angles	85.86, 85.54, 84.34

Refinement procedure

Resolution	27.000 * - 2.000
R-factor	0.251
Rwork	0.217
R-free	0.28900
RMSD bond length	0.008
RMSD bond angle	1.670 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.000	2.030
High resolution limit [Å]	2.000	2.000
Rmerge	0.066	0.300
Number of reflections	5124
<I/σ(I)>	14
Completeness [%]	71.7	66
Redundancy	3.4	1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *		4 *	10% acetic acid, 15% PEG400, pH N/A, VAPOR DIFFUSION, HANGING DROP, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	peptide	5.4 (mg/ml)
2	1	drop	acetic acid	10 (%(v/v))
3	1	drop	PEG400	15 (%(w/v))
4	1	reservoir	PEG400	30 (%)