6DMQ

Crystal structure of the T27A mutant of human alpha defensin HNP4.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL14-1
Synchrotron site	SSRL
Beamline	BL14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-01-07
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97946
Spacegroup name	P 1 21 1
Unit cell lengths	47.704, 38.989, 71.130
Unit cell angles	90.00, 108.93, 90.00

Refinement procedure

Resolution	33.730 - 1.700
R-factor	0.27112
Rwork	0.269
R-free	0.30998
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1zmm
RMSD bond length	0.017
RMSD bond angle	1.967
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0222)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.730
High resolution limit [Å]	1.700	1.700
Rmerge	0.098
Rpim	0.060	0.660
Number of reflections	27445
<I/σ(I)>	17.7	1.2
Completeness [%]	99.7	99.9
Redundancy	3.6	3.6
CC(1/2)	0.990	0.670

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	294	30% MPD 15% PEG 8000 100 mM sodium acetate pH 5.5 100 mM calcium chloride