3HJJ

Crystal Structure of Maltose O-acetyltransferase from Bacillus anthracis

Experimental procedure

Experimental method	SAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2009-04-06
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.97951
Spacegroup name	P 41 21 2
Unit cell lengths	123.010, 123.010, 144.003
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.491 - 2.153
R-factor	0.166
Rwork	0.165
R-free	0.19400
Structure solution method	SAD
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	HKL-3000
Refinement software	PHENIX ((phenix.refine: 1.4_65))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.500	2.190
High resolution limit [Å]	2.150	2.150
Rmerge	0.092	0.655
Number of reflections	60224
<I/σ(I)>	12.3	4.6
Completeness [%]	99.7	99.3
Redundancy	11.8	9.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	291	0.1M Sodium acetate trihydrate, 2.0M Ammonium sulfate, pH 4.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K