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Structure of IDP00044

CRYSTAL STRUCTURE OF BA2930 IN COMPLEX WITH ACCOA AND CYTOSINE

Edit deposit information
CSGID target
IDP00044 
PDB Id
3SLB (NCBI MMDB
Authors
M.M.Klimecka,M.Chruszcz,P.J.Porebski,M.Cymborowski,W.Anderson,W.Minor 
Responsible person
Maks Chruszcz 
Responsible lab
University of Virginia 
Deposition Date
Jun 24, 2011 
Release Date
Jul 06, 2011 

Annotation

Ligands

Ligand code Name Ligand type
MG MAGNESIUM ION crystallization
CYT 6-aminopyrimidin-2(1h)-one
ACO biological
CPS 3-[(3-cholamidopropyl)dimethylammonio]-1-propanesulfona te crystallization
EPE crystallization
MSE modified residue

Structure information

Unit cell parameters

Space Group
P 1 21 1  
Unit Cell

a=72.47Å, b=110.63Å, c=73.78Å
α=90.00, β=112.24, γ=90.00 
Solvent content
 
Matthews coefficient
 

Refinement

Data for the highest resolution shell is in parentheses.
Resolution range
23.99-2.00Å (2.05-2.00Å)  
Rall(%)
17.7 
Rwork(%)
17.4 (19.7) 
Rfree(%)
23.0 (25.9) 
Num. observed reflections
70452 (5316) 
Num. Rfree reflections
3522 (280) 
Completeness(%)
97.0 (98.7) 

Model parameters

Num Atoms
7975  
Num Waters
670  
Num Hetatoms
1255  
Model mean isotropic B factor
27.620Å2  
RMSD bond length
0.014Å  
RMSD bond angle
1.480°  
Filename uploaded
rcsb066343.pdb (uploaded on Jul 13, 2011 3:22 PM)  
Inserted
Jul 13, 2011