3PAR

Surfactant Protein-A neck and carbohydrate recognition domain (NCRD) in the absence of ligand

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	90
Detector technology	IMAGE PLATE
Collection date	2006-07-07
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 63
Unit cell lengths	98.351, 98.351, 44.744
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	32.190 - 2.300
R-factor	0.227
Rwork	0.227
R-free	0.23800
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	PDB CODE 1R13
RMSD bond length	0.009
RMSD bond angle	1.200
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.350
High resolution limit [Å]	2.300	2.300
Rmerge	0.039	0.266
Number of reflections	10984
<I/σ(I)>	21.9	4.3
Completeness [%]	98.2	91.3
Redundancy	4	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	290	1 ul of SP-A (10 mg/ml) was mixed with 1 ul reservoir (50 mM sodium cacodylate (pH = 6.5), 1.2-1.6 M lithium sulfate, and 10 mM calcium chloride). After crystals had grown, the drop was diluted 1/2 with 50 mM sodium cacodylate (pH = 6.5) and 10 mM calcium chloride. Maltose powder was then added to the drop and dissolved. Prior to data collection, the drop was diluted 1/2 again and more maltose powder was dissolved., VAPOR DIFFUSION, HANGING DROP, temperature 290K