1AG0

STRUCTURE OF CYS 112 ASP AZURIN FROM PSEUDOMONAS AERUGINOSA

Experimental procedure

Temperature [K]	290
Detector technology	AREA DETECTOR
Collection date	1993-07
Detector	SIEMENS
Spacegroup name	C 1 2 1
Unit cell lengths	56.500, 48.900, 95.500
Unit cell angles	90.00, 94.00, 90.00

Refinement procedure

Resolution	8.000 - 2.400
R-factor	0.2
Rwork	0.200
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	2.660
Data reduction software	XENGEN
Data scaling software	XENGEN
Phasing software	X-PLOR (3.0)
Refinement software	X-PLOR (3.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.540
High resolution limit [Å]	2.400	2.400
Rmerge	0.078	0.170
Number of reflections	7806
<I/σ(I)>	16.8	2.5
Completeness [%]	84.0	51
Redundancy	2.4	1.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.5		pH 6.5