5CUI

Crystal structure of Human Defensin-5 R28A mutant.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-07-04
Detector	PSI PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	C 2 2 2
Unit cell lengths	59.940, 103.745, 103.985
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.732 - 2.403
R-factor	0.1848
Rwork	0.183
R-free	0.22100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1zmp
RMSD bond length	0.009
RMSD bond angle	1.071
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.440
High resolution limit [Å]	2.400	2.400
Rmerge	0.152	0.903
Number of reflections	12932
<I/σ(I)>	9	1.3
Completeness [%]	99.8	100
Redundancy	6.5	6.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	294	2.5 M sodium chloride, 12% PEG 1500, 1.5% MPD, and 0.1M sodium acetate pH 5.5