Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 1.5418 Å / Relative weight: 1
Reflection
Resolution: 2.2→34.94 Å / Num. obs: 15804 / % possible obs: 97.9 % / Observed criterion σ(I): 0 / Redundancy: 4.48 % / Biso Wilson estimate: 21.53 Å2 / Rmerge(I) obs: 0.07 / Net I/σ(I): 17.62
Reflection shell
Resolution: 2.2→2.22 Å / Redundancy: 3.93 % / Rmerge(I) obs: 0.24 / Mean I/σ(I) obs: 3.24 / % possible all: 85.6
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Processing
Software
Name
Version
Classification
REFMAC
5.2.0005
refinement
MOSFLM
datareduction
SCALA
datascaling
PHASER
phasing
Refinement
Method to determine structure: MOLECULAR REPLACEMENT Starting model: LOCAL HSP90 N-TERM MODEL Resolution: 2.2→73.72 Å / Cor.coef. Fo:Fc: 0.948 / Cor.coef. Fo:Fc free: 0.927 / SU B: 4.131 / SU ML: 0.106 / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.194 / ESU R Free: 0.168 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS.
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.208
788
5.07 %
RANDOM
Rwork
0.168
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-
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obs
0.17
15771
98.2 %
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Solvent computation
Ion probe radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK BULK SOLVENT