5A9A

Crystal structure of Simulium ubiquitum CPV20 polyhedra

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Detector	DECTRIS PILATUS 6M
Spacegroup name	I 2 3
Unit cell lengths	103.360, 103.360, 103.360
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.197 - 1.822
R-factor	0.1583
Rwork	0.157
R-free	0.18990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	MODELS OF POLYHEDRA STRUCTURE OF CPV5 CPV4 CPV1 CPV14 CPV15 AND CPV19
RMSD bond length	0.003
RMSD bond angle	0.827
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	51.700	1.870
High resolution limit [Å]	1.820	1.820
Rmerge	0.340
Number of reflections	16582
<I/σ(I)>	5.4	1.1
Completeness [%]	100.0	99.7
Redundancy	10	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.5		pH 7.5