7BIE

Crystal structure of nvWrap-T, a 7-bladed symmetric propeller

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-07-30
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9763
Spacegroup name	C 1 2 1
Unit cell lengths	79.662, 48.497, 121.950
Unit cell angles	90.00, 101.47, 90.00

Refinement procedure

Resolution	59.760 - 1.800
R-factor	0.1755
Rwork	0.173
R-free	0.21610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ymu
RMSD bond length	0.007
RMSD bond angle	0.995
Data reduction software	DIALS (3.0.4)
Data scaling software	Aimless (CCP4Interface 6.5.000)
Phasing software	PHASER (CCP4Interface 6.5.000)
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	59.760	1.840
High resolution limit [Å]	1.800	1.800
Rmerge	0.090	0.262
Rmeas	0.099	0.287
Rpim	0.039
Number of reflections	41838	2389
<I/σ(I)>	11.9
Completeness [%]	98.6	97.5
Redundancy	6.617	6.225
CC(1/2)	0.993	0.959

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	0.1M Citric acid pH 4.0, 10%(w/v)PEG 6000