3UAO

Structure and Catalytic Mechanism of the Vitamin B3 Degradative Enzyme Maleamate Amidohydrolase from Bordetalla bronchiseptica RB50

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	OXFORD DIFFRACTION ENHANCE ULTRA
Temperature [K]	120
Detector technology	CCD
Collection date	2010-08-31
Detector	OXFORD RUBY CCD
Wavelength(s)	1.5418
Spacegroup name	H 3
Unit cell lengths	157.560, 157.560, 198.480
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	12.010 - 2.399
R-factor	0.12796
Rwork	0.127
R-free	0.17252
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1NBA MODIFIED TO TARGET SEQUENCE USING PHYRE SERVER
RMSD bond length	0.017
RMSD bond angle	1.626
Data reduction software	CrysalisPro
Data scaling software	CrysalisPro
Phasing software	PHASER
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	12.010	2.520
High resolution limit [Å]	2.399	2.399
Number of reflections	131825
<I/σ(I)>	9.78
Completeness [%]	91.7	67.5
Redundancy	2.2	1.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	295	0.2 M ammonium acetate, 0.1 M sodium cacodylate, 30% PEG-8000, pH 6.50, VAPOR DIFFUSION, HANGING DROP, temperature 295K