3A66

Crystal structure of 6-aminohexanoate-dimer hydrolase S112A/G181D/H266N/D370Y 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	2008-05-28
Detector	RIGAKU RAXIS VII
Spacegroup name	P 32 2 1
Unit cell lengths	96.524, 96.524, 113.089
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	27.990 - 1.600
R-factor	0.21
Rwork	0.210
R-free	0.22500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2zm0
RMSD bond length	0.005
RMSD bond angle	1.300
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]	27.990	1.660
High resolution limit [Å]	1.600	1.600
Rmerge	0.054	0.420
Number of reflections	79800
<I/σ(I)>		1.6
Completeness [%]	98.9	92.8
Redundancy	3.23	2.89

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