8X0J

old yellow enzymes-Q102A/Y169F/R215A/R308A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	BRUKER D8 QUEST
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-07-11
Detector	Bruker PHOTON II
Wavelength(s)	1.54178
Spacegroup name	I 21 21 21
Unit cell lengths	86.060, 143.570, 155.470
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.740 - 3.110
R-factor	0.21757
Rwork	0.215
R-free	0.26484
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.453
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PRIME-X (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.740	3.320
High resolution limit [Å]	3.110	3.110
Rmerge	0.175	0.494
Number of reflections	17476	3128
<I/σ(I)>	5.8
Completeness [%]	98.9
Redundancy	3.5
CC(1/2)	0.967

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289.15	glycine,PEG 2000,glycerinum