SHEET THE SHEET STRUCTURE OF THIS MOLECULE IS BIFURCATED. IN ORDER TO REPRESENT THIS FEATURE IN ... SHEET THE SHEET STRUCTURE OF THIS MOLECULE IS BIFURCATED. IN ORDER TO REPRESENT THIS FEATURE IN THE SHEET RECORDS BELOW, TWO SHEETS ARE DEFINED.
Monochromator: DIAMOND (111), GE(220) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.933 Å / Relative weight: 1
Reflection
Resolution: 1.2→27.9 Å / Num. obs: 183672 / % possible obs: 97.8 % / Observed criterion σ(I): 3 / Redundancy: 4.9 % / Rmerge(I) obs: 0.06 / Net I/σ(I): 7
Reflection shell
Resolution: 1.2→1.25 Å / Redundancy: 4.9 % / Rmerge(I) obs: 0.3 / Mean I/σ(I) obs: 2.4 / % possible all: 97.8
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Processing
Software
Name
Version
Classification
REFMAC
5.2.0007
refinement
MOSFLM
datareduction
SCALA
datascaling
SOLVE
phasing
Refinement
Method to determine structure: MAD / Resolution: 1.2→27.7 Å / Cor.coef. Fo:Fc: 0.972 / Cor.coef. Fo:Fc free: 0.966 / SU B: 0.839 / SU ML: 0.018 / Cross valid method: THROUGHOUT / ESU R: 0.035 / ESU R Free: 0.034 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. A LOOP CONTAINING RESIDUES N35-A40 IS MISSING IN THE STRUCTURE. THE C-TERMINAL RESIDUE N305 IS MISSING IN THE STRUCTURE
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.158
9117
5 %
RANDOM
Rwork
0.135
-
-
-
obs
0.136
172334
98.1 %
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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: BABINET MODEL WITH MASK