1VGF

volvatoxin A2 (diamond crystal form)

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL38B1
Synchrotron site	SPring-8
Beamline	BL38B1
Temperature [K]	133
Detector technology	CCD
Collection date	2001-04-18
Detector	ADSC QUANTUM 4
Wavelength(s)	0.92040, 0.9201, 0.9199, 0.9070
Spacegroup name	P 41 2 2
Unit cell lengths	56.310, 56.310, 264.919
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.540 - 2.600
Rwork	0.214
R-free	0.26800
Structure solution method	MAD
RMSD bond length	0.007
RMSD bond angle	1.300
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.540	2.690
High resolution limit [Å]	2.600	2.600
Rmerge	0.049	0.303
Number of reflections	14033
<I/σ(I)>	12.5	10.33
Completeness [%]	99.6	99.9
Redundancy	34.87

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	ammonium sulfate, PEG 4000, glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 298K