1FD3

HUMAN BETA-DEFENSIN 2

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X9B
Synchrotron site	NSLS
Beamline	X9B
Temperature [K]	100
Detector technology	CCD
Collection date	1999-10-02
Detector	ADSC
Spacegroup name	P 21 21 2
Unit cell lengths	50.050, 103.910, 28.270
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.350
R-factor	0.1609
Rwork	0.164
R-free	0.23670
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	0.030
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MLPHARE
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.400
High resolution limit [Å]	1.350	1.350
Rmerge	0.031	0.204
Total number of observations	137572 *
Number of reflections	32227 *
<I/σ(I)>	55	6.5
Completeness [%]	96.7	90.1
Redundancy	4.2	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	298.15	used macroseeding *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG4000	20 (%)
2	1	reservoir	Tris-HCl	0.066 (M)
3	1	reservoir		0.133 (M)