1C4D

GRAMICIDIN CSCL COMPLEX

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Temperature [K]	290
Detector technology	DIFFRACTOMETER
Collection date	1983-05
Detector	PICKER FACS-1
Spacegroup name	P 21 21 21
Unit cell lengths	32.118, 52.103, 31.174
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	5.000 - 2.000
R-factor	0.232
Rwork	0.232
Structure solution method	SINGLE WAVELENGTH ANOMALOUS SCATTERING FROM CESIUM
RMSD bond length	0.042
RMSD bond angle	5.140
Data reduction software	HANSON (ET AL)
Data scaling software	ANOSCL
Phasing software	PHASIT
Refinement software	X-PLOR

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.500
High resolution limit [Å]	2.000	2.000
Number of reflections	3813
Completeness [%]	99.8	99.2
Redundancy	2	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				25 MG/ML GRAMICIDIN IN 53 MM CSCL IN METHANOL AT 10C FOR 3 MONTHS, BATCH METHOD, TEMPERATURE 283K