1BDW

GRAMICIDIN D FROM BACILLUS BREVIS (ACTIVE FORM)

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	295
Detector technology	IMAGE PLATE
Collection date	1998-01
Detector	RIGAKU RAXIS II
Spacegroup name	P 21 21 21
Unit cell lengths	20.584, 27.905, 52.040
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	100.000 - 1.700
R-factor	0.168
R-free	0.24300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1av2
RMSD bond length	0.007
RMSD bond angle	0.024
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	1.760
High resolution limit [Å]	1.700	1.700
Rmerge	0.050	0.125
Total number of observations	11715 *
Number of reflections	3416 *
<I/σ(I)>	28	3.5
Completeness [%]	95.0	58.8
Redundancy	3.4	1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	2		CRYSTALLIZED BY BATCH METHODS FROM A 30 MG/ML SOLUTION OF GRAMICIDIN D IN GLACIAL ACETIC ACID, PH 2.0, 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)