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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	1996-03-08
Detector	RIGAKU RAXIS IIC
Spacegroup name	C 1 2 1
Unit cell lengths	79.700, 84.900, 98.700
Unit cell angles	90.00, 105.30, 90.00

Refinement procedure

Resolution	10.000 - 2.100
R-factor	0.202
Rwork	0.202
R-free	0.26500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1rtm
RMSD bond length	0.008
RMSD bond angle	22.300 *
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	2.170
High resolution limit [Å]	2.100	2.100
Rmerge	0.053	0.276
Number of reflections	36862
<I/σ(I)>	13	4.5
Completeness [%]	99.5	99
Redundancy	2.9	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7.8	22 *	8-10% PEG 8000, 2% PEG 1000, 1 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 PLUS 20% MPD.

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