9NCS

RNase A in complex with Uridine 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	2024-01-30
Detector	RIGAKU SATURN 944
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	100.053, 32.677, 72.327
Unit cell angles	90.00, 90.36, 90.00

Refinement procedure

Resolution	36.160 - 1.830
R-factor	0.1806
Rwork	0.177
R-free	0.20920
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.877
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]	36.160	36.160	1.940
High resolution limit [Å]	1.830	5.430	1.830
Rmerge	0.046	0.046	0.102
Rmeas	0.064	0.064	0.145
Number of reflections	19255	255	834
<I/σ(I)>	7.62
Completeness [%]	33.9
Redundancy	3.6
CC(1/2)	0.996	0.992	0.970

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	289	Crystallization: 50mM Imidazole pH 5.5, 20% PEG 4000 seeded with crystals grown in 20mM Sodium Citrate pH 5.5, 20% PEG 4000 Ligand soaking: 25mM Imidazole pH 5.5, 25% PEG 4000, 7.5mM Uridine Vanadate