4JNX

Crystal structure of RNA silencing suppressor p19 complexed with double-helical RNA 20mer pG(CUG)6C

X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
ID	Method	pH	Temperature	Details
1		6	291	1.6 M ammonium sulfate, pH 8, potassium chloride, MES/NaOH, trace magnesium, HANGING DROP, temperature 291K

Crystal Properties
Matthews coefficient	Solvent content
2.77	55.54

Crystal Data

Unit Cell
Length ( Å )	Angle ( ˚ )
a = 89.917	α = 90
b = 89.917	β = 90
c = 148.353	γ = 120

Symmetry
Space Group	H 3

Diffraction

Diffraction Experiment
ID #	Crystal ID	Scattering Type	Data Collection Temperature	Detector	Detector Type	Details	Collection Date	Monochromator	Protocol
1	1	x-ray	100	CCD	ADSC QUANTUM 315r			M	SINGLE WAVELENGTH

Radiation Source
ID #	Source	Type	Wavelength List	Synchrotron Site	Beamline
1	SYNCHROTRON	ESRF BEAMLINE ID23-1	0.98035	ESRF	ID23-1

Data Collection

Overall
ID #	Resolution (High)	Resolution (Low)	Percent Possible (Observed)	R Merge I (Observed)	Net I Over Average Sigma (I)	Redundancy	Number Reflections (All)	Number Reflections (Observed)	Observed Criterion Sigma (F)	Observed Criterion Sigma (I)	B (Isotropic) From Wilson Plot
1	1.95	20	98.9	0.072	11	2.9	32588	32285

Highest Resolution Shell
ID #	Resolution (High)	Resolution (Low)	Percent Possible (All)	Percent Possible (Observed)	R Merge I (Observed)	Mean I Over Sigma (Observed)	Redundancy	Number Unique Reflections (All)
1	1.95	2.02	98.2		0.726		2.9	1628

Refinement

Statistics
Diffraction ID	Structure Solution Method	Cross Validation method	Starting model	Resolution (High)	Resolution (Low)	Number Reflections (Observed)	Number Reflections (R-Free)	Percent Reflections (Observed)	R-Factor (Observed)	R-Work	R-Free	R-Free Selection Details	Mean Isotropic B
X-RAY DIFFRACTION	MOLECULAR REPLACEMENT	THROUGHOUT	PDB ENTRY 1R9F	1.95	19.3	30613	1632	99.19	0.1981	0.1962	0.2342	RANDOM	36.6245

Temperature Factor Modeling
Anisotropic B[1][1]	Anisotropic B[1][2]	Anisotropic B[1][3]	Anisotropic B[2][2]	Anisotropic B[2][3]	Anisotropic B[3][3]
12.18			12.18		-24.35

RMS Deviations
Key	Refinement Restraint Deviation
r_dihedral_angle_2_deg	37.853
r_dihedral_angle_4_deg	21.029
r_dihedral_angle_3_deg	14.987
r_dihedral_angle_1_deg	5.757
r_mcangle_it	3.006
r_mcbond_other	2.199
r_mcbond_it	2.198
r_angle_refined_deg	2.032
r_angle_other_deg	1.445
r_chiral_restr	0.209

RMS Deviations
Key	Refinement Restraint Deviation
r_dihedral_angle_2_deg	37.853
r_dihedral_angle_4_deg	21.029
r_dihedral_angle_3_deg	14.987
r_dihedral_angle_1_deg	5.757
r_mcangle_it	3.006
r_mcbond_other	2.199
r_mcbond_it	2.198
r_angle_refined_deg	2.032
r_angle_other_deg	1.445
r_chiral_restr	0.209
r_bond_refined_d	0.019
r_gen_planes_refined	0.011
r_bond_other_d	0.006
r_gen_planes_other	0.004

Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen Atoms	Number
Protein Atoms	2004
Nucleic Acid Atoms	844
Solvent Atoms	223
Heterogen Atoms	22

Software

Software
Software Name	Purpose
DENZO	data reduction
SCALEPACK	data scaling
REFMAC	refinement
PDB_EXTRACT	data extraction
ADSC	data collection
HKL-2000	data reduction
REFMAC	phasing

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM133198.