2DCF

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	CCD
Collection date	2005-05-15
Detector	ADSC QUANTUM 315
Wavelength(s)	1.00000
Spacegroup name	P 32 2 1
Unit cell lengths	96.620, 96.620, 112.600
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.220 - 1.400
R-factor	0.183
Rwork	0.183
R-free	0.19500
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1wyb
RMSD bond length	0.004
RMSD bond angle	0.900
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	CNS (1.1)
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.450
High resolution limit [Å]	1.400	1.400
Number of reflections	119444
Completeness [%]	99.9	100

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