8C5K

HEX-1 (in cellulo, in situ) crystallized and diffracted in High Five cells. Growth and SX data collection at 296 K on CrystalDirect plates

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	293
Detector technology	PIXEL
Collection date	2017-07-02
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.971
Spacegroup name	P 65 2 2
Unit cell lengths	58.650, 58.650, 191.450
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.090 - 2.160
R-factor	0.1866
Rwork	0.182
R-free	0.23280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1khi
RMSD bond length	0.016
RMSD bond angle	1.263
Data reduction software	CrystFEL (0.9.1)
Data scaling software	CrystFEL (0.10.0)
Phasing software	PHASER (1.19.2-4158-000)
Refinement software	PHENIX (1.19.2-4158-000)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.090	2.237
High resolution limit [Å]	2.160	2.160
Number of reflections	11210	1066
<I/σ(I)>	10.41	0.9
Completeness [%]	100.0	99.72
Redundancy	246	68
CC(1/2)	0.998	0.595

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	IN CELL		300	Infected with rBV HEX-1 and grown in High-Five cells in suspension culture, MOI 1