1BEX

STRUCTURE OF RUTHENIUM-MODIFIED PSEUDOMONAS AERUGINOSA AZURIN

Experimental procedure

Temperature [K]	100
Detector technology	AREA DETECTOR
Collection date	1993-07
Detector	SIEMENS
Spacegroup name	C 1 2 1
Unit cell lengths	100.600, 35.400, 74.700
Unit cell angles	90.00, 106.50, 90.00

Refinement procedure

Resolution	20.000 - 2.300
R-factor	0.209
Rwork	0.209
R-free	0.28900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ag0
RMSD bond length	0.013
RMSD bond angle	28.100 *
Data reduction software	XENGEN
Data scaling software	XENGEN
Phasing software	X-PLOR (3.843)
Refinement software	X-PLOR (3.843)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.400
High resolution limit [Å]	2.300	2.300
Rmerge	0.063	0.170 *
Total number of observations	38571 *
Number of reflections	11083
<I/σ(I)>	16.7	4.2
Completeness [%]	82.0
Redundancy	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	5 *		30% PEG 4000, 100 MM LINO3,20 MM CUCL2,100 MM TRIS PH 8.0

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	30 (mg/ml)
2	1	drop		100 (mM)
3	1	reservoir	PEG4000	30 (%(w/v))
4	1	reservoir		100 (mM)
5	1	reservoir		20 (mM)
6	1	reservoir	Tris	100 (mM)