6DMM

Crystal structure of the G23A 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 21 21 21
Unit cell lengths	41.629, 65.894, 124.064
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.567 - 1.670
R-factor	0.2198
Rwork	0.218
R-free	0.25310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1zmm
RMSD bond length	0.011
RMSD bond angle	1.320
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.700
High resolution limit [Å]	1.670	1.670
Rmerge	0.057	0.966
Rpim	0.031	0.521
Number of reflections	40384
<I/σ(I)>	28.8
Completeness [%]	99.8	99.9
Redundancy	4.2	4.2
CC(1/2)	0.990	0.710

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	294	30% isopropanol 10% PEG 1500 200 mM lithium sulfate 100 mM sodium acetate pH 5.5