4DVD

Crystal structure of the disulphide linked knotted homodimer of Psu

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ENRAF-NONIUS FR591
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2012-01-15
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	I 4 2 2
Unit cell lengths	149.610, 149.610, 62.700
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.311 - 3.000
R-factor	0.233
Rwork	0.231
R-free	0.27250
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3rx6
RMSD bond length	0.011
RMSD bond angle	1.252
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.7.1_743))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.311	3.160
High resolution limit [Å]	3.000	3.000
Rmerge	0.115
Number of reflections	6846
<I/σ(I)>	5.8
Completeness [%]	94.1	93.7
Redundancy	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	277	7.5%(w/v) PEG 6000, 5%(v/v) glycerol, 0.1M HEPES, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K