4GYN

The E142L mutant of the amidase from Geobacillus pallidus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2011-10-18
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.542
Spacegroup name	P 42 3 2
Unit cell lengths	130.789, 130.789, 130.789
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	53.390 - 1.900
R-factor	0.1958
Rwork	0.194
R-free	0.22540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2plq
RMSD bond length	0.021
RMSD bond angle	2.008
Data reduction software	d*TREK (9.9.9.5L)
Data scaling software	d*TREK
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	53.390	53.390	1.970
High resolution limit [Å]	1.900	4.090	1.900
Rmerge	0.205	0.122	0.516
Total number of observations		16491	14454
Number of reflections	29066
<I/σ(I)>	5	9.9	2.3
Completeness [%]	94.6	95.5	93.7
Redundancy	5.66	5.11	5.09

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