3VWR

Crystal structure of 6-aminohexanoate-dimer hydrolase S112A/G181D/R187G/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	2009-08-26
Detector	RIGAKU RAXIS VII
Wavelength(s)	1.5418
Spacegroup name	P 32 2 1
Unit cell lengths	96.360, 96.360, 112.850
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.650 - 1.650
Rwork	0.189
R-free	0.20200
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.004
RMSD bond angle	1.300
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]	30.380	30.380	1.650
High resolution limit [Å]	1.600	3.440	1.600
Rmerge	0.032	0.018	0.234
Total number of observations		43430	21832
Number of reflections	80141
<I/σ(I)>	21.8	55.8	4.3
Completeness [%]	99.1	99.6	91.9
Redundancy	4.82	5.12	2.96

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