3PAK

Crystal Structure of Rat Surfactant Protein A neck and carbohydrate recognition domain (NCRD) complexed with Mannose

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	97.796, 97.796, 45.088
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	26.100 - 1.900
R-factor	0.218
Rwork	0.218
R-free	0.24300
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1r13
RMSD bond length	0.004
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	1.940
High resolution limit [Å]	1.900	1.900
Rmerge	0.050	0.287
Number of reflections	19500
<I/σ(I)>	24.5	4.5
Completeness [%]	99.4	98.9
Redundancy	5	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 grew, the drop was diluted 1/2 with 50 mM sodium cacodylate (pH =6.5) and 10 mM calcium chloride. Then, mannose powder was added to the drop and mixed to dissolve. A second dilution by 1/2 again and addition of more mannose powder preceded data collection., VAPOR DIFFUSION, HANGING DROP, temperature 290K