4WUX

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2012-03-21
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 63
Unit cell lengths	96.944, 96.944, 44.994
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	14.963 - 1.900
R-factor	0.1754
Rwork	0.172
R-free	0.20220
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	4wr9
RMSD bond length	0.020
RMSD bond angle	1.539
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	1.970
High resolution limit [Å]	1.900	4.070	1.900
Rmerge	0.052	0.028	0.507
Total number of observations	98492
Number of reflections	18934
<I/σ(I)>	23.8
Completeness [%]	98.5	91.2	99.8
Redundancy	5.2	5	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	290	The crystal was 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 a reservoir. Before freezing for x-ray data collection, crystal was 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 with 25% mannose for 10 minutes at each step