6RYJ

structure of conglutinin carbohydrate recognition domain with ethylene glycol bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX14.2
Synchrotron site	SRS
Beamline	PX14.2
Temperature [K]	100
Detector technology	CCD
Collection date	2004-03-04
Detector	ADSC QUANTUM 4r
Wavelength(s)	0.985
Spacegroup name	P 43
Unit cell lengths	50.822, 50.822, 52.837
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.640 - 1.250
R-factor	0.182
Rwork	0.181
R-free	0.20300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	pdbid 1pw9
RMSD bond length	0.010
RMSD bond angle	1.682
Data reduction software	MOSFLM
Data scaling software	SCALA (3.1.4)
Phasing software	AMoRE
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	52.868	52.868	1.290
High resolution limit [Å]	1.250	3.660	1.250
Rmerge	0.034	0.027	0.199
Rmeas	0.039	0.030	0.269
Total number of observations	348475
Number of reflections	35164	1553	2367
<I/σ(I)>	27.5	21.1	3.5
Completeness [%]	94.3	100	66.9
Redundancy	9.9	13.5	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	2.5 M ammonium sulfate, 0.1 M tris