3VWN

Crystal structure of 6-aminohexanoate-dimer hydrolase G181D/R187G/H266N/D370Y mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	100
Detector technology	CCD
Collection date	2009-10-23
Detector	ADSC QUANTUM 270
Wavelength(s)	1.0000
Spacegroup name	P 32 2 1
Unit cell lengths	96.640, 96.640, 112.996
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 1.200
R-factor	0.1303
Rwork	0.130
R-free	0.14580
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.028
RMSD bond angle	2.361
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.220
High resolution limit [Å]	1.200	3.260	1.200
Rmerge	0.058	0.051	0.536
Number of reflections	189410
<I/σ(I)>	18.3
Completeness [%]	100.0	99.8	99.8
Redundancy	10.1	17.5	5.7

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