8VPO

X-Ray Crystal Structure of TigE from Paramaledivibacter caminithermalis

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	2022-04-05
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9793
Spacegroup name	P 21 21 21
Unit cell lengths	69.172, 74.348, 91.765
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.880 - 1.660
R-factor	0.1662
Rwork	0.165
R-free	0.19190
Structure solution method	SAD
RMSD bond length	0.017
RMSD bond angle	1.431
Data reduction software	XDS
Data scaling software	XDS
Phasing software	autoSHARP
Refinement software	PHENIX ((1.17.1_3660: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.880	1.700
High resolution limit [Å]	1.660	1.660
Number of reflections	56752	4002
<I/σ(I)>	19.2	3.1
Completeness [%]	99.7
Redundancy	13.3
CC(1/2)	0.999	0.889

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	298	0.1 M ammonium acetate, 0.1 M Bis-Tris pH 5.5, 17% w/v PEG 10,000 and equilibrating against 0.5 M LiCl