4GB7

Putative 6-aminohexanoate-dimer hydrolase from Bacillus anthracis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2012-07-13
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	60.696, 61.595, 111.841
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.000 - 1.600
R-factor	0.1347
Rwork	0.132
R-free	0.19700
Structure solution method	SAD
RMSD bond length	0.015
RMSD bond angle	1.582
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	31.800	50.000	1.630
High resolution limit [Å]	1.600	4.340	1.600
Rmerge	0.114	0.100	0.468
Number of reflections	54699
<I/σ(I)>	14.6		2.09
Completeness [%]	97.5	89.5	88.4
Redundancy	5.5	5.5	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.3	289	0.2 M ammonium nitrate, 20% PEG-3350, pH 6.3, VAPOR DIFFUSION, SITTING DROP, temperature 289K