3VWL

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2009-08-26
Detector	RIGAKU RAXIS VII
Wavelength(s)	1.5418
Spacegroup name	P 32 2 1
Unit cell lengths	96.430, 96.430, 113.080
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	24.390 - 1.600
Rwork	0.190
R-free	0.20900
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.005
RMSD bond angle	1.300
Data reduction software	d*TREK (8.0SSI)
Data scaling software	d*TREK
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	24.390	24.390	1.660
High resolution limit [Å]	1.600	3.440	1.600
Rmerge	0.041	0.023	0.353
Total number of observations		25629	19856
Number of reflections	80217
<I/σ(I)>	11.5	30.7	2.2
Completeness [%]	99.7	99.7	97.5
Redundancy	2.96	3.04	2.53

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