9W8H

Isomerase Structure at 140K

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU PhotonJet-R
Temperature [K]	140
Detector technology	PIXEL
Collection date	2024-10-01
Detector	RIGAKU HyPix-3000
Wavelength(s)	1.54
Spacegroup name	C 1 2 1
Unit cell lengths	101.240, 36.072, 54.648
Unit cell angles	90.00, 96.05, 90.00

Refinement procedure

Resolution	17.580 - 2.000
R-factor	0.2386
Rwork	0.234
R-free	0.27460
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.688
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]	17.580	2.071
High resolution limit [Å]	2.000	2.000
Number of reflections	13369	1282
<I/σ(I)>	31.67
Completeness [%]	97.1
Redundancy	1.8
CC(1/2)	0.999	0.994

Crystallization Conditions

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