4OTV

Crystal structure of in cellulo Operophtera brumata CPV18

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
Collection date	2013-05-19
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9686
Spacegroup name	I 2 3
Unit cell lengths	103.040, 103.040, 103.040
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.539 - 1.700
R-factor	0.1246
Rwork	0.122
R-free	0.17920
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.142
Data reduction software	FastDP
Data scaling software	Blend
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	72.860
High resolution limit [Å]	1.700	1.700
Number of reflections	18161
Completeness [%]	90.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.5	301	Protein crystallized naturally in the cytoplasm, pH 7.5, temperature 301K