6IMP

Crystal structure of alpha-beta hydrolase (ABH) from Vibrio vulnificus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2014-12-19
Detector	ADSC QUANTUM 270
Wavelength(s)	0.9793
Spacegroup name	P 21 21 21
Unit cell lengths	44.106, 99.681, 164.890
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.840 - 2.620
R-factor	0.23986
Rwork	0.237
R-free	0.28701
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.430
Data scaling software	HKL-2000
Phasing software	AutoSol
Refinement software	REFMAC (5.8.0103)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.690
High resolution limit [Å]	2.600	2.600
Rmerge	0.077	0.597
Number of reflections	22210
<I/σ(I)>	23.1	1.87
Completeness [%]	98.2	97.4
Redundancy	6.1	5.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2M sodium formate, 25% PEG 3350