4ISX

The crystal structure of maltose o-acetyltransferase from clostridium difficile 630 in complex with acetyl-coa

Replaces:  4EBH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2012-03-19
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97921
Spacegroup name	F 2 3
Unit cell lengths	167.896, 167.896, 167.896
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.518 - 2.702
R-factor	0.1972
Rwork	0.195
R-free	0.25200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	:3SRT
RMSD bond length	0.003
RMSD bond angle	0.715
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine: 1.8.1_1168))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.000	2.760
High resolution limit [Å]	2.700	2.700
Rmerge	0.083	0.671
Number of reflections	10868
<I/σ(I)>	36.9	3.3
Completeness [%]	99.9	100
Redundancy	7.4	7.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	289	0.2M MGCL2, 0.1M MES:NAOH, 10% (W/V)PEG4000, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K