1LNG

Crystal Structure of the SRP19-7S.S SRP RNA Complex of M. jannaschii

X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
ID	Method	pH	Temperature	Details
1	VAPOR DIFFUSION, HANGING DROP	7	273	PEG 3350, HEPES, MgAc, CaCl, DMSO, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 273K

Crystal Properties
Matthews coefficient	Solvent content
2.44	49.49

Crystal Data

Unit Cell
Length ( Å )	Angle ( ˚ )
a = 42.521	α = 90
b = 61.405	β = 90
c = 155.978	γ = 90

Symmetry
Space Group	P 21 21 21

Diffraction

Diffraction Experiment
ID #	Crystal ID	Scattering Type	Data Collection Temperature	Detector	Detector Type	Details	Collection Date	Monochromator	Protocol
1	1	x-ray	100	IMAGE PLATE	MARRESEARCH		2001-09-15	M	SINGLE WAVELENGTH

Radiation Source
ID #	Source	Type	Wavelength List	Synchrotron Site	Beamline
1	SYNCHROTRON	MAX II BEAMLINE I711	1.12	MAX II	I711

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	2.3	20	98.1	0.099			18606	18606

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)
	2.3	2.38	91		0.332

Refinement

Statistics
Diffraction ID	Structure Solution Method	Cross Validation method	Starting model	Resolution (High)	Resolution (Low)	Number Reflections (All)	Number Reflections (Observed)	Number Reflections (R-Free)	Percent Reflections (Observed)	R-Factor (All)	R-Factor (Observed)	R-Work	R-Free	R-Free Selection Details	Mean Isotropic B
X-RAY DIFFRACTION	MOLECULAR REPLACEMENT	THROUGHOUT	PDB entries 1D4R and 1DUL	2.3	20	18606	17651	955	98.63	0.22697	0.22697	0.22444	0.27333	RANDOM	38.347

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]
-2.02			2.18		-0.16

RMS Deviations
Key	Refinement Restraint Deviation
r_dihedral_angle_3_deg	23.294
r_dihedral_angle_1_deg	3.917
r_angle_refined_deg	2.704
r_scangle_it	2.539
r_scbond_it	1.684
r_mcangle_it	1.598
r_mcbond_it	0.826
r_symmetry_hbond_refined	0.316
r_nbd_refined	0.273
r_xyhbond_nbd_refined	0.257

RMS Deviations
Key	Refinement Restraint Deviation
r_dihedral_angle_3_deg	23.294
r_dihedral_angle_1_deg	3.917
r_angle_refined_deg	2.704
r_scangle_it	2.539
r_scbond_it	1.684
r_mcangle_it	1.598
r_mcbond_it	0.826
r_symmetry_hbond_refined	0.316
r_nbd_refined	0.273
r_xyhbond_nbd_refined	0.257
r_symmetry_vdw_refined	0.245
r_chiral_restr	0.09
r_bond_refined_d	0.011
r_gen_planes_refined	0.006

Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen Atoms	Number
Protein Atoms	727
Nucleic Acid Atoms	2080
Solvent Atoms	200
Heterogen Atoms	10

Software

Software
Software Name	Purpose
REFMAC	refinement
CNS	refinement
DENZO	data reduction
CCP4	data scaling
CNS	phasing

RCSB PDB Core Operations are funded by the National Science Foundation (DBI-1832184), 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.