3E4H

Crystal structure of the cyclotide varv F

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I711
Synchrotron site	MAX II
Beamline	I711
Temperature [K]	100
Detector technology	CCD
Collection date	2000-07-06
Detector	MAR CCD 165 mm
Wavelength(s)	1.052
Spacegroup name	I 41 3 2
Unit cell lengths	84.081, 84.081, 84.081
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.800
Rwork	0.224
R-free	0.24400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1nb1
RMSD bond length	0.004
RMSD bond angle	1.800
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.061	0.252
Number of reflections	4978
<I/σ(I)>		8.9
Completeness [%]	99.9	99.6
Redundancy	35.8	35.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	293	2.0M MgCl2, 0.1M bicine, pH9.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K