7QYF

Structure of the transaminase PluriZyme variant (TR2E2)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-05-05
Detector	DECTRIS EIGER R 4M
Wavelength(s)	0.9677
Spacegroup name	P 21 21 21
Unit cell lengths	100.358, 108.988, 212.178
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.650 - 3.300
Rwork	0.226
R-free	0.27970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7qx0
RMSD bond length	0.012
RMSD bond angle	1.480
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.17)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.650	3.418
High resolution limit [Å]	3.300	3.300
Number of reflections	37886	3500
<I/σ(I)>	7.83	1.43
Completeness [%]	98.5
Redundancy	5.1
CC(1/2)	0.994	0.643

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		298	200 mM calcium acetate, 100 mM HEPES pH 7.5, 10% (w/v) PEG 8000