3PSM

.98A crystal structure of a dimeric plant defensin SPE10

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BSRF BEAMLINE 3W1A
Synchrotron site	BSRF
Beamline	3W1A
Temperature [K]	100
Detector technology	CCD
Collection date	2003-11-05
Detector	MAR CCD 130 mm
Wavelength(s)	0.98
Spacegroup name	P 1 21 1
Unit cell lengths	32.714, 28.111, 54.853
Unit cell angles	90.00, 103.78, 90.00

Refinement procedure

Resolution	10.000 - 0.980
R-factor	0.1248
Rwork	0.120
R-free	0.16370
Structure solution method	AB INITIO PHASING
RMSD bond length	0.015
RMSD bond angle	0.030
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	Shake (& Bake)
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	1.010
High resolution limit [Å]	0.980	0.980
Rmerge	0.028	0.486
Number of reflections	55557
<I/σ(I)>	31.83	4.48
Completeness [%]	99.3	96.6
Redundancy	18.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5		35% PEG 8000, pH 7.5, VAPOR DIFFUSION, HANGING DROP