3PAQ

Surfactant Protein A neck and carbohydrate recognition domain (NCRD) complexed with alpha-methylmannose

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	97.452, 97.452, 44.848
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.730 - 2.100
R-factor	0.223
Rwork	0.223
R-free	0.24400
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	PDB CODE 1R13
RMSD bond length	0.005
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]	50.000	2.150
High resolution limit [Å]	2.100	2.100
Rmerge	0.038	0.379
Number of reflections	14325
<I/σ(I)>	21.5	3.9
Completeness [%]	99.6	99.8
Redundancy	4	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	290	1 ul 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 about 1/2 with 50 mM sodium cacodylate (pH = 6.5) and 10 mM calcium chloride. Alpha-methylmannose powder was added to the drop and stirred to dissolve. Prior to data collection, the drop was diluted about 1/2 again and more powdered alpha-methylmannose added., VAPOR DIFFUSION, HANGING DROP, temperature 290K