2QPU

Sugar tongs mutant S378P in complex with acarbose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Detector technology	CCD
Collection date	2004-12-12
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9330
Spacegroup name	P 21 21 2
Unit cell lengths	218.930, 89.650, 62.080
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.260 - 1.700
R-factor	0.178
Rwork	0.178
R-free	0.20900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ht6
RMSD bond length	0.006
RMSD bond angle	1.300
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.260	1.800
High resolution limit [Å]	1.700	1.700
Number of reflections	133821
<I/σ(I)>	11.7	4.1
Completeness [%]	99.0	95
Redundancy	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	290	17% PEG 8000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 290K