2ZMA

Crystal Structure of 6-Aminohexanoate-dimer Hydrolase S112A/G181D/H266N/D370Y Mutant with Substrate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	100
Detector technology	CCD
Collection date	2005-10-27
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0000
Spacegroup name	P 32 2 1
Unit cell lengths	96.687, 96.687, 112.911
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	33.630 - 1.510
R-factor	0.175
Rwork	0.175
R-free	0.19000
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	2dcf
RMSD bond length	0.007
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	1.560
High resolution limit [Å]	1.510	1.510
Rmerge	0.063	0.471
Number of reflections	96045
<I/σ(I)>	31.7	2.2
Completeness [%]	99.5	97.5
Redundancy	5.7	4.2

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