4GYL

The E142L mutant of the amidase from Geobacillus pallidus showing the result of Michael addition of acrylamide at the active site cysteine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2011-10-22
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.542
Spacegroup name	P 42 3 2
Unit cell lengths	130.490, 130.490, 130.490
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.230 - 1.900
R-factor	0.1643
Rwork	0.163
R-free	0.18660
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.023
RMSD bond angle	2.075
Data reduction software	d*TREK (9.9.9.5L)
Data scaling software	d*TREK
Phasing software	REFMAC (5.7.0029)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	24.230	24.230	1.970
High resolution limit [Å]	1.900	4.090	1.900
Rmerge	0.246	0.110	0.688
Total number of observations		58012	19427
Number of reflections	30455
<I/σ(I)>	7.8	16.8	2.1
Completeness [%]	99.9	99.7	99.1
Redundancy	15.98	17.52	6.56

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