7ZP7

Crystal structure of evolved photoenzyme EnT1.3 (truncated) with bound product

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	2022-04-04
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9763
Spacegroup name	P 1 21 1
Unit cell lengths	50.752, 73.958, 74.722
Unit cell angles	90.00, 93.46, 90.00

Refinement procedure

Resolution	74.590 - 1.700
R-factor	0.1523
Rwork	0.151
R-free	0.18070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3i1c
RMSD bond length	0.005
RMSD bond angle	0.877
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	PHENIX (1.20.1_4487)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	74.590	1.761
High resolution limit [Å]	1.700	1.700
Rmerge	0.089
Number of reflections	60455	5861
<I/σ(I)>	15.85	2.08
Completeness [%]	99.6	97.25
Redundancy	6.9
CC(1/2)	0.997	0.876

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.2 M Magnesium formate dihydrate, 20% w/v PEG 3350