9O4V

RNase A in complex with Pseudouridine Vanadate and decavanadates

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2024-02-02
Detector	RIGAKU SATURN 944
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	99.631, 32.512, 71.879
Unit cell angles	90.00, 90.09, 90.00

Refinement procedure

Resolution	29.170 - 1.700
R-factor	0.1707
Rwork	0.168
R-free	0.20480
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.985
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.21.2_5419: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.170	29.170	1.800
High resolution limit [Å]	1.700	5.060	1.700
Rmerge	0.032	0.043	0.161
Rmeas	0.045	0.061	0.222
Number of reflections	22942	326	398
<I/σ(I)>	10.57
Completeness [%]	28.2
Redundancy	3.3
CC(1/2)	0.996	0.995	0.956

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	289	Crystallization: 20mM Sodium Citrate pH 5.5, 25% PEG 4000 seeded with crystals grown in 20mM Sodium Citrate pH 5.5, 20% PEG 4000 Ligand soaking: 16.7mM Imidazole pH 5.5, 30% PEG 4000, 5% glycerol, 5mM Pseudouridine Vanadate