2O2L

Crystal structure of human heat-labile enterotoxin in complex with a blood group A antigen analog

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I911-5
Synchrotron site	MAX II
Beamline	I911-5
Temperature [K]	100
Detector technology	CCD
Collection date	2005-02-26
Detector	MAR CCD 165 mm
Wavelength(s)	0.907
Spacegroup name	P 21 21 2
Unit cell lengths	117.799, 166.965, 57.478
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.530
R-factor	0.18351
Rwork	0.181
R-free	0.23703
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1djr
RMSD bond length	0.011
RMSD bond angle	1.450
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	AMoRE
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	96.200	2.600
High resolution limit [Å]	2.500	2.530
Rmerge	0.033	0.080
Number of reflections	38366
<I/σ(I)>	24.9	12.4
Completeness [%]	99.0	94.2
Redundancy	6.1	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1