4KZF

The mechanism of the amidases: The effect of the mutation E142L in the amidase from Geobacillus pallidus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2008-06-28
Wavelength(s)	0.8856
Spacegroup name	P 42 3 2
Unit cell lengths	130.979, 130.979, 130.979
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.300 - 1.850
R-factor	0.1861
Rwork	0.185
R-free	0.20280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2plq
RMSD bond length	0.024
RMSD bond angle	1.941
Data reduction software	d*TREK
Data scaling software	XSCALE
Phasing software	REFMAC
Refinement software	REFMAC

Data quality characteristics

	Overall
Low resolution limit [Å]	92.620
High resolution limit [Å]	1.840
Rmerge	0.080
Number of reflections	33703
<I/σ(I)>	10.6
Completeness [%]	99.7
Redundancy	6.58

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	294	1.2M sodium citrate, 0.4M sodium chloride, 0.1M sodium acetate, pH 5.6, vapor diffusion, hanging drop, temperature 294K