3VWQ

6-aminohexanoate-dimer hydrolase S112A/G181D/R187A/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	96.400, 96.400, 113.050
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	24.970 - 1.700
Rwork	0.189
R-free	0.20800
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.005
RMSD bond angle	1.200
Data reduction software	d*TREK (8.0SSI)
Data scaling software	d*TREK
Phasing software	CNS (1.2)
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	24.970	24.970	1.760
High resolution limit [Å]	1.700	3.650	1.700
Rmerge	0.035	0.020	0.234
Total number of observations		29821	25330
Number of reflections	67128
<I/σ(I)>	18.1	42.7	4.7
Completeness [%]	99.5	99.8	97.7
Redundancy	4.13	4.21	3.86

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