4WRC

Crystal Structure of Surfactant Protein-A DEDN Mutant (E171D/P175E/R197N/K203D)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2013-01-17
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	H 3 2
Unit cell lengths	68.774, 68.774, 168.852
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	13.644 - 1.800
R-factor	0.2088
Rwork	0.205
R-free	0.24260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB code 3PAK
RMSD bond length	0.011
RMSD bond angle	1.208
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	15.000	15.000	1.860
High resolution limit [Å]	1.800	3.862	1.800
Rmerge	0.065	0.044	0.473
Total number of observations	155412
Number of reflections	14534
<I/σ(I)>	27.1
Completeness [%]	99.4	95.2	99.9
Redundancy	10.7	9.6	9.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	290	DEDN (17 mg/ml) crystallized in hanging drops from a reservoir solution of 0.2 M calcium chloride and 14% (w/v) PEG 3,350. Before freezing, crystals were soaked in reservoir solution supplemented with 1.5 M 1,6-hexanediol as a cryoprotectant