4M17

Crystal Structure of Surfactant Protein-D D325A/R343V mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2012-05-07
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	107.524, 160.108, 160.073
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	14.938 - 2.096
R-factor	0.1701
Rwork	0.163
R-free	0.18780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3g84
RMSD bond length	0.011
RMSD bond angle	0.572
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.8_1063)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	15.000	15.000	2.170
High resolution limit [Å]	2.096	4.490	2.096
Rmerge	0.073	0.051	0.324
Number of reflections	154671
<I/σ(I)>	21.5
Completeness [%]	95.8	99	78.3
Redundancy	5.8	6	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	290	Purified D325A+R343V (12-15 mg/mL in 20 mM HEPES, pH 7.5, 150 mM sodium chloride, 10 mM calcium acetate) + reservoir solution (0.1 M HEPES, pH 7.5, 0.25 M sodium chloride, 20-22% w/v PEG3350), VAPOR DIFFUSION, HANGING DROP, temperature 290K