1A7Z

CRYSTAL STRUCTURE OF ACTINOMYCIN Z3

Experimental procedure

Source type	ROTATING ANODE
Source details	SIEMENS
Temperature [K]	173
Detector technology	AREA DETECTOR
Collection date	1997-09-22
Detector	SIEMENS HI-STAR
Spacegroup name	P 21 21 21
Unit cell lengths	14.803, 24.780, 65.059
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.450 - 0.950
R-factor	0.08
R-free	0.09700
Structure solution method	AB INITIO
RMSD bond length	0.012
RMSD bond angle	0.000
Data reduction software	SAINT
Data scaling software	SADABS
Phasing software	SHELXL-97
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.450	1.050
High resolution limit [Å]	0.950	0.950
Rmerge	0.060	0.350
Total number of observations	112696 *
Number of reflections	15653
<I/σ(I)>	8.17	4.93
Completeness [%]	99.5	98.1
Redundancy	7.06	4.85

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	7		PH 7