9O5B

RNase A in complex with N1-Methylpseudouridine 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	2024-02-26
Detector	RIGAKU SATURN 944
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	100.310, 32.830, 72.670
Unit cell angles	90.00, 90.55, 90.00

Refinement procedure

Resolution	25.080 - 1.710
R-factor	0.1851
Rwork	0.182
R-free	0.21910
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.145
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]	25.080	25.080	1.810
High resolution limit [Å]	1.710	5.080	1.710
Rmerge	0.040	0.033	0.130
Rmeas	0.057	0.047	0.184
Number of reflections	22880	316	347
<I/σ(I)>	8.8
Completeness [%]	25.4
Redundancy	4.3
CC(1/2)	0.993	0.993	0.947

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 N1-methylpseudouridine Vanadate