3PAZ

REDUCED NATIVE PSEUDOAZURIN FROM A. FAECALIS

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	298
Detector technology	AREA DETECTOR
Collection date	1993-12
Detector	SIEMENS
Spacegroup name	P 65
Unit cell lengths	50.060, 50.060, 98.720
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	22.300 - 1.730
R-factor	0.158 *
RMSD bond length	0.006
RMSD bond angle	0.020
Data reduction software	XENGEN
Data scaling software	XENGEN
Refinement software	SHELXL

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	22.300	1.800
High resolution limit [Å]	1.730	1.730
Rmerge	0.040	0.150
Number of reflections	12220
<I/σ(I)>	32.1	5.8
Completeness [%]	87.0 *	54 *
Redundancy	5.2	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	7		50MM SODIUM PHOSPHATE WITH 75% SATURATED AMMONIUM SULFATE, pH 7.0

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	sodium phosphate	50 (mM)
2	1	1	ammonium sulfate	75 (%sat)