8CD5

structure of HEX-1 from N. crassa crystallized in cellulo, diffracted at 100K and resolved using CrystFEL

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]	100
Detector technology	PIXEL
Collection date	2019-11-26
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.980
Spacegroup name	P 65 2 2
Unit cell lengths	57.230, 57.230, 198.150
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.080 - 1.560
R-factor	0.2004
Rwork	0.200
R-free	0.21620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1khi
RMSD bond length	0.004
RMSD bond angle	0.705
Data reduction software	CrystFEL
Data scaling software	CrystFEL
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.080	1.616
High resolution limit [Å]	1.560	1.560
Number of reflections	52622	610
<I/σ(I)>	31.47
Completeness [%]	99.8
Redundancy	7367
CC(1/2)	1.000	0.286

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	IN CELL		300	baculovirus infected and grown in Trichoplusia ni (High Five) cells in adhesion culture (MOI 1)