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.
Mass: 18.015 Da / Num. of mol.: 158 / Source method: isolated from a natural source / Formula: H2O
Compound details
HAS SINGLE-STRANDED DNA-STIMULATED ATPASE AND ATP-DEPENDENT DNA HELICASE (3' TO 5') ACTIVITY.
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Experimental details
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Experiment
Experiment
Method: X-RAY DIFFRACTION / Number of used crystals: 1
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Sample preparation
Crystal
Density Matthews: 3.09 Å3/Da / Density % sol: 59.85 %
Crystal grow
Temperature: 293 K / Method: vapor diffusion, sitting drop / pH: 6 Details: PROTEIN WAS CRYSTALLISED USING THE VAPOR DIFFUSION METHOD (SITTING DROP). THE WELLS CONTAINED 500 MICROLITERS OF PRECIPITANT SOLUTION AND THE DROPS WERE COMPOSED OF 1.5 MICROLITERS OF ...Details: PROTEIN WAS CRYSTALLISED USING THE VAPOR DIFFUSION METHOD (SITTING DROP). THE WELLS CONTAINED 500 MICROLITERS OF PRECIPITANT SOLUTION AND THE DROPS WERE COMPOSED OF 1.5 MICROLITERS OF PROTEIN SOLUTION (15 MG/ML) AND 1.5 MICROLITERS OF RESERVOIR SOLUTION. THE BEST CRYSTALS WERE OBTAINED FROM A SOLUTION CONTAINING 1.6 M SODIUM MALONATE PH 6 AT 293 K.
Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.9791 Å / Relative weight: 1
Reflection
Resolution: 2.2→45.4 Å / Num. obs: 73593 / % possible obs: 96.5 % / Observed criterion σ(I): 0 / Redundancy: 8.3 % / Rmerge(I) obs: 0.07 / Net I/σ(I): 8.1
Reflection shell
Resolution: 2.2→2.32 Å / Redundancy: 3.8 % / Rmerge(I) obs: 0.62 / Mean I/σ(I) obs: 1.2 / % possible all: 80
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Processing
Software
Name
Version
Classification
SHARP
modelbuilding
SCALA
datascaling
SHELXCD
phasing
SHELXD
phasing
SHELXE
phasing
SHARP
phasing
REFMAC
5.2.0005
refinement
Refinement
Method to determine structure: SAD / Resolution: 2.2→179.61 Å / Cor.coef. Fo:Fc: 0.948 / Cor.coef. Fo:Fc free: 0.92 / SU B: 11.316 / SU ML: 0.15 / Cross valid method: THROUGHOUT / ESU R: 0.232 / ESU R Free: 0.205 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. BECAUSE THEIR ELECTRON DENSITY COULD NOT BE SEEN, THE FOLLOWING RESIDUES ARE MISSING FROM THE FINAL MODEL 1-8, 142-155, 248-276 AND 450-456 ...Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. BECAUSE THEIR ELECTRON DENSITY COULD NOT BE SEEN, THE FOLLOWING RESIDUES ARE MISSING FROM THE FINAL MODEL 1-8, 142-155, 248-276 AND 450-456 IN CHAIN A, 1-10, 142-154, 245-278 AND 449-456 IN CHAIN B, AND 1-7, 129-230, 247-276 AND 450-456 IN CHAIN C. ALSO, ZERO (0.01) OCCUPANCY WAS GIVEN TO 26 ATOMS IN CHAIN A, 48 IN CHAIN B AND 84 IN CHAIN C.
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.257
3705
5 %
RANDOM
Rwork
0.206
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obs
0.209
70028
97.1 %
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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: MASK