1ZMQ

Crystal structure of human alpha-defensin-6

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2004-06-10
Detector	MARRESEARCH
Wavelength(s)	0.9200
Spacegroup name	P 41 21 2
Unit cell lengths	62.068, 62.068, 145.297
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 2.100
R-factor	0.17757
Rwork	0.177
R-free	0.19287
Structure solution method	SAD
Starting model (for MR)	Experimental phases
RMSD bond length	0.014
RMSD bond angle	1.670
Data scaling software	SCALEPACK
Phasing software	SHELXD
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.180
High resolution limit [Å]	2.100	2.100
Number of reflections	17013
<I/σ(I)>	14.4	2
Completeness [%]	97.8	93.9
Redundancy	3.6	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	sodium acetate trihydrate, 2-Methyl-2,4-pentanediol, calcium chloride dehydrate, VAPOR DIFFUSION, HANGING DROP, temperature 293K