1B08

LUNG SURFACTANT PROTEIN D (SP-D) (FRAGMENT)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	1998-02-15
Detector	MARRESEARCH
Spacegroup name	P 1 21 1
Unit cell lengths	55.960, 109.720, 56.090
Unit cell angles	90.00, 92.20, 90.00

Refinement procedure

Resolution	20.000 - 2.300
R-factor	0.209
Rwork	0.209
R-free	0.27100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1hup
RMSD bond length	0.010
RMSD bond angle	24.200 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE (VERSION FOR CCP4)
Refinement software	X-PLOR

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.063	0.290
Total number of observations	69933 *
Number of reflections	28571	2706 *
<I/σ(I)>	10.1
Completeness [%]	95.0	90.6
Redundancy	2.45

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7.5 *		AN EQUAL AMOUNT OF PROTEIN SOLUTION (8 MG/ML PROTEIN IN 10 MM TRIS 140 MM NACL 1MM CACL2 0.02% (W/V) NAN3 PH 7.5) AND PRECIPITANT BUFFER (10-20% (W/V) PEG 20000 IN 100 MM TRIS PH 6-8) WERE MIXED AND VAPOR EQUILIBRATED AGAINST THE LATTER., pH 7.00

Crystallization Reagents

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	1	TRIS
2	1	1	NACL
3	1	1	CACL2
4	1	1	NAN3
5	1	1	PEG 20000
6	1	1	TRIS
7	1	2	PEG 20000
8	1	2	TRIS

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	8 (mg/ml)
2	1	drop	Tris-HCl	10 (mM)
3	1	drop		140 (mM)
4	1	drop		1 (mM)
5	1	drop		0.02 (%(w/v))
6	1	reservoir	PEG20000	10-20 (%(w/v))
7	1	reservoir	Tris-HCl	100 (mM)