9WH2

Isomerase Structure at 280K

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU PhotonJet-R
Temperature [K]	120
Detector technology	PIXEL
Collection date	2024-10-02
Detector	RIGAKU HyPix-3000
Wavelength(s)	1.54
Spacegroup name	C 1 2 1
Unit cell lengths	102.510, 36.272, 55.687
Unit cell angles	90.00, 95.79, 90.00

Refinement procedure

Resolution	21.880 - 2.000
R-free	0.23400
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	CrysalisPro (1.171.42.35a)
Data scaling software	CrysalisPro (1.171.42.35a)
Phasing software	PHENIX (1.20.1)
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	22.040	2.072
High resolution limit [Å]	2.000	2.000
Number of reflections	13972	1226
<I/σ(I)>	13.58	5.91
Completeness [%]	93.8	89.29
Redundancy	2
CC(1/2)	0.992	0.906

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	NaCl, Ammonium Sulfate, TRIS