1Q0C

Anerobic Substrate Complex of Homoprotocatechuate 2,3-Dioxygenase from Brevibacterium fuscum. (Complex with 3,4-Dihydroxyphenylacetate)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	291
Detector technology	IMAGE PLATE
Collection date	1999-01-01
Detector	RIGAKU RAXIS
Wavelength(s)	1.5418
Spacegroup name	I 41
Unit cell lengths	157.000, 157.000, 122.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.100
Rwork	0.170
R-free	0.23400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	1.910
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.190
High resolution limit [Å]	2.100	2.100
Rmerge	0.051	0.216
Number of reflections	82936
<I/σ(I)>	10	3.2
Completeness [%]	97.5	99.3
Redundancy	2.2	2.15

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	batch	7.5	291	10% Peg5000 MME, 0.2 M Magnesium Acetate, 100 mM Mops, pH 7.5, batch, temperature 291K