4KMB

COMPLEX OF 4'-SULFO-LEWIS-X WITH A SELECTIN-LIKE MUTANT OF MANNOSE-BINDING PROTEIN A

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1996-05-28
Detector	RIGAKU RAXIS IIC
Spacegroup name	C 1 2 1
Unit cell lengths	79.100, 85.000, 97.500
Unit cell angles	90.00, 106.30, 90.00

Refinement procedure

Resolution	10.000 - 2.000
R-factor	0.208
Rwork	0.208
R-free	0.27200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1rtm
RMSD bond length	0.007
RMSD bond angle	22.100 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	X-PLOR (3.54)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.048	0.242
Number of reflections	34603
<I/σ(I)>	12.2	4.7
Completeness [%]	97.5	94.7
Redundancy	2.2	2.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7.8	22 *	PROTEIN WAS CRYSTALLIZED FROM 8-10% PEG 8000, 2% PEG 1000, 100 MM TRIS-CL, PH 7.8, 200 MM NACL, 20 MM CACL2, 2 MM NAN3. PRIOR TO DATA COLLECTION, THE CRYSTAL WAS ADAPTED TO THE MOTHER LIQUOR MINUS PEG 8000, PLUS 35% PEG 400, PLUS 80 MM 4'-SULFO- LEWIS-X.

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	2 (mg/ml)
10	1	drop	solution A
2	1	drop		50 (mM)
3	1	drop		5 (mM)
4	1	reservoir	PEG8000	8-10 (%(w/v))	solution A
5	1	reservoir	PEG1000	2 (%)	solution A
6	1	reservoir	Tris-HCl	100 (mM)	solution A
7	1	reservoir		200 (mM)	solution A
8	1	reservoir		2 (mM)	solution A
9	1	reservoir		20 (mM)	solution A