9W8P

Isomerase at 260K

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU PhotonJet-R
Temperature [K]	260
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	102.380, 36.344, 55.467
Unit cell angles	90.00, 95.92, 90.00

Refinement procedure

Resolution	18.390 - 2.000
R-factor	0.2202
Rwork	0.217
R-free	0.24630
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.704
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]	18.390	2.071
High resolution limit [Å]	2.000	2.000
Number of reflections	13924	1294
<I/σ(I)>	27.33
Completeness [%]	96.7
Redundancy	1.9
CC(1/2)	0.970	0.989

Crystallization Conditions

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