secretion proteins EscU / name from scop / Type III exporter system, secretion apparatus protein BsaZ / Type III secretion system substrate exporter / Type III secretion system substrate exporter, C-terminal / FlhB HrpN YscU SpaS Family / 3-Layer(aba) Sandwich / Alpha Beta Similarity search - Domain/homology
Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 1 Å / Relative weight: 1
Reflection
Resolution: 1.13→50 Å / Num. obs: 49262 / % possible obs: 97.6 % / Observed criterion σ(I): 2 / Redundancy: 13.5 % / Rmerge(I) obs: 0.04 / Net I/σ(I): 50.4
Reflection shell
Resolution: 1.13→1.16 Å / Redundancy: 11.3 % / Rmerge(I) obs: 0.4 / Mean I/σ(I) obs: 6.2 / % possible all: 91.1
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Processing
Software
Name
Version
Classification
REFMAC
5.4.0057
refinement
HKL-3000
datareduction
SCALEPACK
datascaling
SOLVE
phasing
Refinement
Method to determine structure: SAD Starting model: NONE Resolution: 1.13→41.7 Å / Cor.coef. Fo:Fc: 0.963 / Cor.coef. Fo:Fc free: 0.967 / SU B: 0.589 / SU ML: 0.013 / Cross valid method: THROUGHOUT / ESU R: 0.031 / ESU R Free: 0.028 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS.
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.168
2506
5.1 %
RANDOM
Rwork
0.164
-
-
-
obs
0.164
46638
98.2 %
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Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK