A: AAA ATPASE, CENTRAL DOMAIN PROTEIN B: AAA ATPASE, CENTRAL DOMAIN PROTEIN C: AAA ATPASE, CENTRAL DOMAIN PROTEIN D: AAA ATPASE, CENTRAL DOMAIN PROTEIN E: AAA ATPASE, CENTRAL DOMAIN PROTEIN F: AAA ATPASE, CENTRAL DOMAIN PROTEIN
Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.97 Å / Relative weight: 1
Reflection
Resolution: 3.6→48 Å / Num. obs: 27368 / % possible obs: 99.1 % / Observed criterion σ(I): 1.76 / Redundancy: 5.3 % / Rmerge(I) obs: 0.09 / Net I/σ(I): 8.31
Reflection shell
Resolution: 3.6→3.8 Å / Redundancy: 5.5 % / Rmerge(I) obs: 0.62 / Mean I/σ(I) obs: 1.76 / % possible all: 99.6
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Processing
Software
Name
Version
Classification
REFMAC
5.8.0071
refinement
XDS
datareduction
XSCALE
datascaling
CRANK2
phasing
Refinement
Method to determine structure: SAD Starting model: NONE Resolution: 3.6→106.02 Å / Cor.coef. Fo:Fc: 0.928 / Cor.coef. Fo:Fc free: 0.898 / SU B: 55.813 / SU ML: 0.776 / Cross valid method: THROUGHOUT / ESU R Free: 0.8 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. U VALUES REFINED INDIVIDUALLY
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.31822
1464
5.1 %
RANDOM
Rwork
0.26421
-
-
-
obs
0.26688
27368
99.67 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK