8V8O

Switchgrass Chalcone Isomerase-Like Protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.3
Synchrotron site	ALS
Beamline	5.0.3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-06-08
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	1
Spacegroup name	P 43 21 2
Unit cell lengths	100.171, 100.171, 118.930
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.540 - 3.210
R-factor	0.2421
Rwork	0.241
R-free	0.25420
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.587
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.20_4459: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.050
High resolution limit [Å]	3.000	8.130	3.000
Rmeas	0.387
Rpim	0.108	0.026	0.706
Number of reflections	12646	732	626
<I/σ(I)>	1.8
Completeness [%]	99.7	99.7	100
Redundancy	12.4	12.4	10.8
CC(1/2)	0.971	0.997	0.466

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	1.1 M Ammonium Tartrate Dibasic pH=7.0