4V7T

Crystal structure of the E. coli ribosome bound to chloramphenicol.

X-RAY DIFFRACTION

Starting Model(s)

Initial Refinement Model(s)
Type	Source	Accession Code	Details
experimental model	PDB	3I1M	PDB ENTRY 3I1M, 3I1N, 3I1O, 3I1P
experimental model	PDB	3I1N	PDB ENTRY 3I1M, 3I1N, 3I1O, 3I1P
experimental model	PDB	3I1O	PDB ENTRY 3I1M, 3I1N, 3I1O, 3I1P
experimental model	PDB	3I1P	PDB ENTRY 3I1M, 3I1N, 3I1O, 3I1P

Crystallization

Crystalization Experiments
ID	Method	pH	Temperature	Details
1	MICROBATCH	6.5	291	PEG8k, MPD, pH 6.5, microbatch, temperature 291K

Crystal Properties
Matthews coefficient	Solvent content
3.37	63.54

Crystal Data

Unit Cell
Length ( Å )	Angle ( ˚ )
a = 211.456	α = 90
b = 434.084	β = 90
c = 621.233	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	CCD	ADSC QUANTUM 315		2009-10-17	M	SINGLE WAVELENGTH

Radiation Source
ID #	Source	Type	Wavelength List	Synchrotron Site	Beamline
1	SYNCHROTRON	ALS BEAMLINE 8.3.1	1.1158	ALS	8.3.1

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	3.194	100	82.6	0.072	12.7	2	703312	708760	1.8	1.8

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	3.194	3.42	69.7		0.435		1.5

Refinement

Statistics
Diffraction ID	Structure Solution Method	Starting model	Resolution (High)	Resolution (Low)	Cut-off Sigma (F)	Number Reflections (All)	Number Reflections (Observed)	Number Reflections (R-Free)	Percent Reflections (Observed)	R-Factor (Observed)	R-Work	R-Free	Mean Isotropic B
X-RAY DIFFRACTION	FOURIER SYNTHESIS	PDB ENTRY 3I1M, 3I1N, 3I1O, 3I1P	3.1942	82.146	0.06	708760	708760	14298	75.81	0.1919	0.1906	0.252

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]
-2.331			-7.6001		7.0078

RMS Deviations
Key	Refinement Restraint Deviation
f_dihedral_angle_d	28.169
f_angle_d	1.427
f_chiral_restr	0.077
f_bond_d	0.006
f_plane_restr	0.005

Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen Atoms	Number
Protein Atoms	89372
Nucleic Acid Atoms	193031
Solvent Atoms	1712
Heterogen Atoms	384

Software

Software
Software Name	Purpose
SCALEPACK	data scaling
PHENIX	refinement
PDB_EXTRACT	data extraction
PHENIX	refinement
DENZO	data reduction

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 R01GM157729.