7P8P

Crystal structure of Fhit covalently bound to a nucleotide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-09-24
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.999871
Spacegroup name	P 21 21 21
Unit cell lengths	52.422, 61.736, 198.009
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.330 - 2.340
R-factor	0.197
Rwork	0.193
R-free	0.24570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4fit
RMSD bond length	0.006
RMSD bond angle	0.881
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.19_4085)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.330	2.348
High resolution limit [Å]	2.336	2.336
Rmeas	0.218	1.622
Number of reflections	45307	3173
<I/σ(I)>	6.93
Completeness [%]	86.0
Redundancy	5.69
CC(1/2)	0.989	0.317

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	Morpheus condition G8: 0.1 M Carboxylic acids, 0.1 M Buffer System 2, 37.5 % v/v Precipitant Mix 4