9FYV

Crystal structure of the engineered photoenzyme VEnT1.3

This is a non-PDB format compatible entry.

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	2024-04-19
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9763
Spacegroup name	P 21 21 21
Unit cell lengths	42.061, 81.652, 85.907
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.950 - 1.820
R-factor	0.1905
Rwork	0.188
R-free	0.23690
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.669
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	PHENIX
Refinement software	PHENIX (1.21_5207)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.950	1.880
High resolution limit [Å]	1.820	1.820
Rmerge	0.171	2.757
Rpim	0.048	0.765
Number of reflections	27261	2622
<I/σ(I)>	7.33	0.5
Completeness [%]	99.7	97.46
Redundancy	13.4	13.8
CC(1/2)	0.998	0.382

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	0.02 M sodium/potassium phosphate, 20% PEG 3350