1FIH

N-ACETYLGALACTOSAMINE BINDING MUTANT OF MANNOSE-BINDING PROTEIN A (QPDWG-HDRPY), COMPLEX WITH N-ACETYLGALACTOSAMINE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-1
Synchrotron site	SSRL
Beamline	BL9-1
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1999-11-18
Detector	MARRESEARCH
Spacegroup name	C 1 2 1
Unit cell lengths	81.490, 84.552, 98.542
Unit cell angles	90.00, 105.43, 90.00

Refinement procedure

Resolution	28.660 - 1.950
R-factor	0.237
Rwork	0.237
R-free	0.26900
RMSD bond length	0.006
RMSD bond angle	1.100
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.020
High resolution limit [Å]	1.950	1.950
Rmerge	0.057	0.328
Total number of observations	173378 *
Number of reflections	43653
<I/σ(I)>	15.9
Completeness [%]	92.7	92.7
Redundancy	4	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5 *	20 *	13.5% Polyethylene glycol 8000 100 mM Tris-HCL 10 mM NaCl 20 mM CaCl2, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	15-22.5 (mg/ml)
2	1	drop		10 (mM)
3	1	reservoir	PEG8000	13.5 (%)
4	1	reservoir	Tris-HCl	100 (mM)
5	1	reservoir		10 (mM)
6	1	reservoir		20 (mM)
7	1	drop		10 (mM)