9KAI

Crystal Structure of Chalcone Isomerase-like Protein from Physcomitrella patens

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL32XU
Synchrotron site	SPring-8
Beamline	BL32XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-02-08
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.00000
Spacegroup name	C 1 2 1
Unit cell lengths	61.540, 45.870, 76.350
Unit cell angles	90.00, 113.23, 90.00

Refinement procedure

Resolution	35.530 - 1.870
R-factor	0.1904
Rwork	0.188
R-free	0.22950
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.823
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.980
High resolution limit [Å]	1.870	1.870
Rmeas	0.450	6.020
Number of reflections	16352	2546
<I/σ(I)>	10.8	1.15
Completeness [%]	99.8
Redundancy	17
CC(1/2)	0.997	0.582

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	Magnesium chloride, PEG 6000 or PEG 8000