SHEET DETERMINATION METHOD: DSSP THE SHEET PRESENTED AS A1 ON SHEET RECORDS BELOW IS ACTUALLY AN ... SHEET DETERMINATION METHOD: DSSP THE SHEET PRESENTED AS A1 ON SHEET RECORDS BELOW IS ACTUALLY AN EIGHT-STRANDED ALPHA/BETA-BARREL. THIS IS REPRESENTED BY A NINE-STRANDED SHEET IN WHICH THE FIRST AND LAST STRANDS ARE IDENTICAL. THE SHEET PRESENTED AS B1 ON SHEET RECORDS BELOW IS ACTUALLY AN EIGHT-STRANDED ALPHA/BETA-BARREL. THIS IS REPRESENTED BY A NINE-STRANDED SHEET IN WHICH THE FIRST AND LAST STRANDS ARE IDENTICAL. THE SHEET PRESENTED AS C1 ON SHEET RECORDS BELOW IS ACTUALLY AN EIGHT-STRANDED ALPHA/BETA-BARREL. THIS IS REPRESENTED BY A NINE-STRANDED SHEET IN WHICH THE FIRST AND LAST STRANDS ARE IDENTICAL. THE SHEET PRESENTED AS D1 ON SHEET RECORDS BELOW IS ACTUALLY AN EIGHT-STRANDED ALPHA/BETA-BARREL. THIS IS REPRESENTED BY A NINE-STRANDED SHEET IN WHICH THE FIRST AND LAST STRANDS ARE IDENTICAL. SHEETS A3A AND A3B ARE IDENTICAL EXCEPT FOR THE FIRST STRAND. THIS STRAND IS SPLIT INTO TWO DISTINCT AMINO ACID RUNS. THE BULGE OF 11 AMINO ACIDS (RESIDUES 282-292) INCLUDES A HYDROGEN-BONDED TURN (RESIDUES 286-292) SHEETS B3A AND B3B ARE IDENTICAL EXCEPT FOR THE FIRST STRAND. THIS STRAND IS SPLIT INTO TWO DISTINCT AMINO ACID RUNS. THE BULGE OF 11 AMINO ACIDS (RESIDUES 282-292) INCLUDES A HYDROGEN-BONDED TURN (RESIDUES 286-292) SHEETS C3A AND C3B ARE IDENTICAL EXCEPT FOR THE FIRST STRAND. THIS STRAND IS SPLIT INTO TWO DISTINCT AMINO ACID RUNS. THE BULGE OF 11 AMINO ACIDS (RESIDUES 282-292) INCLUDES A HYDROGEN-BONDED TURN (RESIDUES 286-292) SHEETS D3A AND D3B ARE IDENTICAL EXCEPT FOR THE FIRST STRAND. THIS STRAND IS SPLIT INTO TWO DISTINCT AMINO ACID RUNS. THE BULGE OF 11 AMINO ACIDS (RESIDUES 282-292) INCLUDES A HYDROGEN-BONDED TURN (RESIDUES 286-292)
Monochromator: MIRRORS / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Relative weight: 1
Reflection
Resolution: 2.6→50 Å / Num. obs: 52490 / Observed criterion σ(I): 0 / Redundancy: 4 % / Biso Wilson estimate: 36.1 Å2 / Rsym value: 0.06 / Net I/σ(I): 18.2
Reflection shell
Highest resolution: 2.6 Å / Rmerge(I) obs: 0.259 / Mean I/σ(I) obs: 4.1 / % possible all: 96.2
Reflection
*PLUS
Highest resolution: 2.6 Å / Lowest resolution: 50 Å / % possible obs: 99.6 % / Num. measured all: 205355 / Rmerge(I) obs: 0.06
Reflection shell
*PLUS
% possible obs: 96.2 %
-
Processing
Software
Name
Version
Classification
CNS
1
refinement
DENZO
datareduction
SCALEPACK
datascaling
PHASES
phasing
Refinement
Method to determine structure: MIR / Resolution: 2.7→19.79 Å / Rfactor Rfree error: 0.003 / Data cutoff high absF: 2844071.43 / Data cutoff low absF: 0 / Isotropic thermal model: RESTRAINED / Cross valid method: THROUGHOUT / σ(F): 0 / Stereochemistry target values: Engh & Huber Details: NON-CRYSTALLOGRAPHIC SYMMETRY RESTRAINTS WERE IMPOSED ON THE FOLLOWING RESIDUE GROUPS IN ALL FOUR MOLECULES: GROUP 1: RESIDUES 22 TO 208, GROUP 2: RESIDUES 214 TO 226, GROUP 3: RESIDUES 235 ...Details: NON-CRYSTALLOGRAPHIC SYMMETRY RESTRAINTS WERE IMPOSED ON THE FOLLOWING RESIDUE GROUPS IN ALL FOUR MOLECULES: GROUP 1: RESIDUES 22 TO 208, GROUP 2: RESIDUES 214 TO 226, GROUP 3: RESIDUES 235 TO 242, GROUP 4: RESIDUES 249 to 383
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