4L08

Crystal structure of the maleamate amidase Ami(C149A) in complex with maleate from Pseudomonas putida S16

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Temperature [K]	100
Detector technology	CCD
Collection date	2012-02-27
Wavelength(s)	1.000
Spacegroup name	P 2 21 21
Unit cell lengths	74.449, 167.045, 175.018
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.660
R-factor	0.2237
Rwork	0.222
R-free	0.25450
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.024
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	120.840	50.000	2.740
High resolution limit [Å]	2.650	5.710	2.650
Rmerge	0.093	0.059	0.339
Number of reflections	63356
<I/σ(I)>	19.2
Completeness [%]	99.7	97.2	100
Redundancy	6.8	6.8	6.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.8	287	0.1M sodium citrate, pH 5.8, 19% polyethylene glycol monomethylether 5000, vapor diffusion, hanging drop, temperature 287K