4S3Q

Amylomaltase MalQ from Escherichia coli in complex with maltose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	CCD
Collection date	2013-12-12
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.91841
Spacegroup name	P 1
Unit cell lengths	75.132, 77.019, 128.403
Unit cell angles	76.11, 75.48, 66.31

Refinement procedure

Resolution	34.230 - 2.100
R-factor	0.2227
Rwork	0.221
R-free	0.25840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4s3r
RMSD bond length	0.009
RMSD bond angle	1.275
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	35.000	35.000	2.200
High resolution limit [Å]	2.100	10.000	2.100
Rmerge	0.058	0.020	0.394
Number of reflections	138781	1118	18524
<I/σ(I)>	12.02	33.34	3.03
Completeness [%]	94.3	81.7	96.4
Redundancy	2.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	295	20 %(w/v) PEG3350, 200 mM NaH2PO4, 250 mM NaCl, 20 mM Tris-HCl, protein concentration 13 mg/ml, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 295K