3IGJ

Crystal Structure of Maltose O-acetyltransferase Complexed with Acetyl Coenzyme A from Bacillus anthracis

Experimental procedure

Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2009-06-01
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.97923
Spacegroup name	P 41 21 2
Unit cell lengths	121.966, 121.966, 142.441
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.594 - 2.600
R-factor	0.175
Rwork	0.173
R-free	0.21300
Structure solution method	SAD
RMSD bond length	0.011
RMSD bond angle	1.437
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	HKL-3000
Refinement software	PHENIX ((phenix.refine))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.600	2.640
High resolution limit [Å]	2.600	2.600
Rmerge	0.105	0.753
Number of reflections	33541
<I/σ(I)>	13.6	6.6
Completeness [%]	99.7	100
Redundancy	18.1	18.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.2	291	0.1M Phosphate-citrate, 2M Ammonium sulfate, pH 4.2, VAPOR DIFFUSION, SITTING DROP, temperature 291K