3K8L

Crystal structure of SusG-D498N mutant with maltoheptaose

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2008-03-30
Detector	SBC-3
Wavelength(s)	0.97929
Spacegroup name	P 41
Unit cell lengths	128.041, 128.041, 130.483
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.300
Rwork	0.184
R-free	0.21600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3k8k
RMSD bond length	0.007
RMSD bond angle	1.246
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	500.000	2.400
High resolution limit [Å]	2.200	2.200
Number of reflections	98589
<I/σ(I)>	34.6	4.9
Completeness [%]	92.3
Redundancy	5.1	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	10mM maltoheptaose, 0.5mM CaCl2, 19% PEG 4000, 100mM LiSO4, 100mM HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K