9W8I

Isomerase at 160K

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU PhotonJet-R
Temperature [K]	160
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	101.270, 36.091, 54.730
Unit cell angles	90.00, 96.03, 90.00

Refinement procedure

Resolution	17.670 - 2.000
R-factor	0.2423
Rwork	0.238
R-free	0.27970
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.690
Data reduction software	CrysalisPro (1.171.42.35a)
Data scaling software	CrysalisPro (1.171.42.35a)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	17.670	2.071
High resolution limit [Å]	2.000	2.000
Number of reflections	13463	1317
<I/σ(I)>	33.37
Completeness [%]	97.7
Redundancy	1.8
CC(1/2)	0.999	0.995

Crystallization Conditions

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