Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.99 Å / Relative weight: 1
Reflection
Resolution: 2.3→20 Å / Num. obs: 41797 / % possible obs: 98 % / Observed criterion σ(I): 0 / Redundancy: 3.4 % / Rmerge(I) obs: 0.07 / Net I/σ(I): 12.5
Reflection shell
Resolution: 2.3→2.42 Å / Redundancy: 2.4 % / Rmerge(I) obs: 0.18 / Mean I/σ(I) obs: 5.7 / % possible all: 87
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Processing
Software
Name
Version
Classification
REFMAC
5.2.0019
refinement
MOSFLM
datareduction
SCALA
datascaling
SHELX-SHARP
phasing
Refinement
Method to determine structure: SAD Starting model: NONE Resolution: 2.3→29.59 Å / Cor.coef. Fo:Fc: 0.952 / Cor.coef. Fo:Fc free: 0.917 / SU B: 6.355 / SU ML: 0.159 / Cross valid method: THROUGHOUT / ESU R: 0.317 / ESU R Free: 0.237 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. RESIDUES FROM -3 TO -1 AT THE N-TERMINI IN BOTH MONOMERS BELONGS TO THE HISTIDINE TAG
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.243
2161
5.1 %
RANDOM
Rwork
0.182
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-
-
obs
0.185
40255
98.8 %
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Solvent computation
VDW probe radii: 1.2 Å / Solvent model: BABINET MODEL WITH MASK