8F8V

Crystal structure of Nb.X0

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-04-06
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97934
Spacegroup name	I 2 2 2
Unit cell lengths	59.310, 95.081, 110.372
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.320 - 1.810
R-factor	0.1939
Rwork	0.192
R-free	0.22160
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.953
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.320	1.830
High resolution limit [Å]	1.800	1.800
Rpim	0.045	0.339
Number of reflections	27855	1313
<I/σ(I)>	27.7
Completeness [%]	99.2
Redundancy	9.5
CC(1/2)	0.991	0.708

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	20 % v/v PPGBA 400 + 15 % v/v 1-Propanol. Cryopreserved with 40% ethylene glycol