3VWM

Crystal structure of 6-aminohexanoate-dimer hydrolase G181D/R187A/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	2009-08-27
Detector	RIGAKU RAXIS VII
Wavelength(s)	1.5418
Spacegroup name	P 32 2 1
Unit cell lengths	96.220, 96.220, 113.150
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	27.960 - 1.600
Rwork	0.193
R-free	0.21800
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.005
RMSD bond angle	1.400
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]	27.960	27.960	1.660
High resolution limit [Å]	1.600	3.450	1.600
Rmerge	0.038	0.022	0.351
Total number of observations		40129	29206
Number of reflections	79765
<I/σ(I)>	16	40.1	3.1
Completeness [%]	99.5	99.5	97.8
Redundancy	4.49	4.82	3.73

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