8ERJ

Crystal structure of Fub7 in complex with E-2-aminocrotonate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-02-25
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	C 1 2 1
Unit cell lengths	190.957, 194.746, 146.338
Unit cell angles	90.00, 129.32, 90.00

Refinement procedure

Resolution	49.220 - 2.160
R-factor	0.179
Rwork	0.177
R-free	0.20540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	alphafold
RMSD bond length	0.008
RMSD bond angle	0.960
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.000	2.190
High resolution limit [Å]	2.150	2.150
Number of reflections	219273	10780
<I/σ(I)>	11.8	1.12
Completeness [%]	99.4
Redundancy	6.5
CC(1/2)	0.993	0.776

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M sodium malonate pH 6.0, 25% PEG 3350, crystal soaked with 10 mM L-vinylglcyine