3A65

Crystal structure of 6-aminohexanoate-dimer hydrolase S112A/G181D/H266N mutant with substrate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2008-03-07
Detector	RIGAKU RAXIS VII
Spacegroup name	P 32 2 1
Unit cell lengths	96.414, 96.414, 112.869
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	31.560 - 1.700
R-factor	0.18
Rwork	0.180
R-free	0.20100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1wyc
RMSD bond length	0.005
RMSD bond angle	1.200
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	CNS (1.2)
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.560	1.760
High resolution limit [Å]	1.700	1.700
Rmerge	0.038	0.325
Number of reflections	65321
<I/σ(I)>		2.2
Completeness [%]	96.6	76.2
Redundancy	3.33	2

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 6.50, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 283K