4WUW

Crystal Structure of Surfactant Protein-A DED Mutant (E171D/P175E/K203D) Complexed with Inositol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2012-03-16
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 63
Unit cell lengths	97.699, 97.699, 45.027
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	14.701 - 2.398
R-factor	0.177
Rwork	0.174
R-free	0.20440
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	4wr9
RMSD bond length	0.018
RMSD bond angle	1.021
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	15.000	15.000	2.380
High resolution limit [Å]	2.300	4.900	2.300
Rmerge	0.083	0.044	0.493
Total number of observations	34693
Number of reflections	10795
<I/σ(I)>	19
Completeness [%]	97.2	93.7	93.6
Redundancy	3.2	3.1	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	290	The crystals were grown in hanging drops using 10 mM sodium cacodylate (pH 6.0), 80 mM calcium acetate, 0-10% glycerol, and 4-10% (w/v) PEG 20,000 as the reservoir. Before freezing for x-ray data collection, crystals were soaked in reservoir solution of 10 mM calcium acetate without glycerol, but with stepwise additions of 5, 10, and 15% 2-methyl-2,4-pentanediol and 5% (w/v) inositol for 10 minutes at each step