4PAZ

OXIDIZED MUTANT P80A 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	26.200 - 1.760
R-factor	0.157 *
RMSD bond length	0.006
RMSD bond angle	0.019 *
Data reduction software	XENGEN
Data scaling software	XENGEN
Refinement software	SHELXL

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	26.200	1.800
High resolution limit [Å]	1.760	1.760
Rmerge	0.034	0.110
Number of reflections	12172
<I/σ(I)>	23.9	7.6
Completeness [%]	86.0 *	55 *
Redundancy	5.3	1.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	6.8 *		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	protein	20 (mg/ml)
2	1	1	phosphate	20 (mM)
3	1	1	ammonium sulfate	42 (%sat)