Crystal structure of carbohydrate transporter solute binding protein CAUR_1924 from Chloroflexus aurantiacus, Target EFI-511158, in complex with D-glucose
Components
Periplasmic sugar-binding protein
Keywords
TRANSPORT PROTEIN / SUGAR TRANSPORTER / ABC-TYPE / ENZYME FUNCTION INITIATIVE / EFI / STRUCTURAL GENOMICS
Monochromator: GRAPHITE / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.9793 Å / Relative weight: 1
Reflection
Resolution: 1.4→50 Å / Num. obs: 60271 / % possible obs: 99.1 % / Observed criterion σ(I): -3 / Redundancy: 9 % / Rmerge(I) obs: 0.071 / Net I/σ(I): 18.2
Reflection shell
Resolution: 1.4→1.42 Å / Redundancy: 6.1 % / Rmerge(I) obs: 0.57 / Mean I/σ(I) obs: 2.4 / % possible all: 95.4
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Processing
Software
Name
Version
Classification
SHELX
modelbuilding
ARP/wARP
modelbuilding
REFMAC
5.8.0073
refinement
XDS
datareduction
SCALA
datascaling
SHELX
phasing
Refinement
Method to determine structure: SAD / Resolution: 1.4→50 Å / Cor.coef. Fo:Fc: 0.98 / Cor.coef. Fo:Fc free: 0.968 / SU B: 2.725 / SU ML: 0.046 / Cross valid method: THROUGHOUT / ESU R: 0.058 / ESU R Free: 0.058 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.17653
1794
3 %
RANDOM
Rwork
0.12887
-
-
-
obs
0.13031
58388
98.93 %
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Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: BABINET MODEL WITH MASK