3VWP

Crystal structure of 6-aminohexanoate-dimer hydrolase S112A/G181D/R187S/H266N/D370Y mutant complexd with 6-aminohexanoate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2009-08-10
Detector	RIGAKU RAXIS VII
Wavelength(s)	1.5418
Spacegroup name	P 32 2 1
Unit cell lengths	96.390, 96.390, 112.870
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	24.180 - 1.550
Rwork	0.198
R-free	0.21900
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.004
RMSD bond angle	1.200
Data reduction software	d*TREK (9.4SSI)
Data scaling software	d*TREK (9.4SSI)
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	24.180	24.180	1.610
High resolution limit [Å]	1.550	3.340	1.550
Rmerge	0.042	0.025	0.414
Total number of observations		36146	32142
Number of reflections	87694
<I/σ(I)>	13	36.5	2.3
Completeness [%]	99.5	96.4	100
Redundancy	3.79	4.02	3.66

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	283	2.2M AMMONIUM SULFATE, 0.2M LITHIUM SULFATE, 0.1M MES, pH 6.5, vapor diffusion, sitting drop, temperature 283K