3LO4

Crystal structure of human alpha-defensin 1 (R24A mutant)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2009-04-08
Detector	RIGAKU RAXIS IV++
Spacegroup name	P 21 21 2
Unit cell lengths	46.627, 48.673, 24.557
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.750
R-factor	0.173
Rwork	0.171
R-free	0.21000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3gny
RMSD bond length	0.016
RMSD bond angle	1.585
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.5.0070)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.670	1.780
High resolution limit [Å]	1.750	1.750
Rmerge	0.050	0.568
Number of reflections	5942
<I/σ(I)>	25.7	2.8
Completeness [%]	99.0	97.2
Redundancy	5.8	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		5.6	298	20% PEG 4,000; 0.1 M sodium citrate tribasic dehydrate; 20% iso-propanol, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K