1AV2

Gramicidin A/CsCl complex, active as a dimer

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	295
Detector technology	IMAGE PLATE
Collection date	1995-10-15
Detector	RIGAKU
Spacegroup name	P 21 21 21
Unit cell lengths	31.060, 31.880, 52.110
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	100.000 - 1.400
R-factor	0.154
R-free	0.18600
Structure solution method	MOLECULAR REPLACEMENT/ ANOMALOUS SCATTERING
Starting model (for MR)	HOME-MADE MODEL
RMSD bond length	0.015
RMSD bond angle	0.035
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELXL-97
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	1.450
High resolution limit [Å]	1.400	1.400
Rmerge	0.055 *	0.152
Total number of observations	39976 *
Number of reflections	17776 *
<I/σ(I)>	59	2.9
Completeness [%]	91.3 *	54.5
Redundancy	6.1	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	7		30 MG/ML GRAMICIDIN, SATURATED CSCL, METHANOL, PH 7.0, BATCH METHOD

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	methanolic solution	30 (mg/ml)
2	1	1		250 (mM)