6RYG

native structure of conglutinin carbohydrate recognition domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	CCD
Collection date	2007-12-12
Detector	ADSC QUANTUM 315
Wavelength(s)	0.92
Spacegroup name	P 43
Unit cell lengths	50.170, 50.170, 52.247
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 0.974
R-factor	0.1349
Rwork	0.135
R-free	0.13880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6rym
RMSD bond length	0.010
RMSD bond angle	1.654
Data reduction software	MOSFLM
Data scaling software	SCALA (3.1.4)
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.170	52.247	1.020
High resolution limit [Å]	0.974	3.050	0.970
Rmerge	0.050	0.045	0.216
Rmeas	0.059	0.059	0.315
Total number of observations	471902	18257	4289
Number of reflections	61295	2374	1888
<I/σ(I)>	22.9	33	2.3
Completeness [%]	81.2	93.9	20.5
Redundancy	7.7	7.7	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	2.5 M ammonium sulfate, 0.1 M tris