1VLX

STRUCTURE OF ELECTRON TRANSFER (COBALT-PROTEIN)

Experimental procedure

Source type	SEALED TUBE
Source details	OTHER
Temperature [K]	293
Detector technology	AREA DETECTOR
Collection date	1994-11-17
Detector	SIEMENS
Spacegroup name	P 21 21 21
Unit cell lengths	57.400, 80.400, 110.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	? - 1.900
R-factor	0.175
Rwork	0.175
Structure solution method	ISOMORPHOUS REPLACEMENT
Starting model (for MR)	WILD-TYPE AZURIN
RMSD bond length	0.014
RMSD bond angle	1.880
Data reduction software	SAINT
Data scaling software	SAINT
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	8.000	1.967
High resolution limit [Å]	1.900	1.899
Rmerge	0.085	0.448
Total number of observations	52176 *
Number of reflections	31366
<I/σ(I)>		1.72
Completeness [%]	79.7
Redundancy	1.84

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.7	24-25 *	THE BLUISH WELL-FORMED PRISMATIC CRYSTALS OF THE TITLE PROTEIN WERE OBTAINED BY THE VAPOR-DIFFUSION HANGING-DROP TECHNIQUE FROM A SOLUTION CONTAINING 3.6M AMMONIUM SULFATE, 0.5M LITHIUM NITRATE AND 0.1M ACETATE BUFFER AT PH 5.7 AND AT THE TEMPERATURE OF 24 - 25 CENTIGRADE IN AROUND 10 DAYS., vapor diffusion - hanging drop

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	ammonium sulfate	3.6 (M)
2	1	reservoir	lithium nitrate	0.5 (M)
3	1	reservoir	acetate	0.1 (M)