- PDB-5kh5: Crystal Structure of Steptococcus pneumoniae Undecaprenyl pyropho... -
+
Open data
ID or keywords:
Loading...
-
Basic information
Entry
Database: PDB / ID: 5kh5
Title
Crystal Structure of Steptococcus pneumoniae Undecaprenyl pyrophosphate Synthase (UPPS) IN COMPLEX WITH ~{N}-(3-azanyl-3-oxidanylidene-propyl)-5-(1-benzothiophen-5-yl)-1-(phenylmethyl)-~{N}-[(4-propan-2-yloxyphenyl)methyl]pyrazole-4-carboxamide
Transferases; Transferring alkyl or aryl groups, other than methyl groups / prenyltransferase activity / magnesium ion binding Similarity search - Function
Type: MARRESEARCH / Detector: CCD / Date: Mar 30, 2011
Radiation
Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 1 Å / Relative weight: 1
Reflection
Resolution: 2.6→50 Å / Num. obs: 17199 / % possible obs: 87.3 % / Redundancy: 4.5 % / Net I/σ(I): 30.7
-
Processing
Software
Name
Version
Classification
REFMAC
5.5.0109
refinement
DENZO
datareduction
SCALEPACK
datascaling
MOLREP
phasing
Refinement
Resolution: 2.63→50 Å / Cor.coef. Fo:Fc: 0.919 / Cor.coef. Fo:Fc free: 0.893 / SU B: 27.98 / SU ML: 0.27 / Cross valid method: THROUGHOUT / ESU R: 0.653 / ESU R Free: 0.33 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.27421
979
5.1 %
RANDOM
Rwork
0.23994
-
-
-
obs
0.2417
18074
98.85 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å