Mass: 14009.960 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Gene: ZRANB3 / Production host: Escherichia coli (E. coli) References: UniProt: Q5FWF4, Hydrolases; Acting on acid anhydrides; Acting on acid anhydrides to facilitate cellular and subcellular movement, Hydrolases; Acting on ester bonds
Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.9174 Å / Relative weight: 1
Reflection
Resolution: 2→54.88 Å / Num. obs: 24666 / % possible obs: 99.9 % / Redundancy: 13.2 % / CC1/2: 0.997 / Rmerge(I) obs: 0.208 / Net I/σ(I): 11
Reflection shell
Resolution: 2→2.05 Å / Redundancy: 11.9 % / Rmerge(I) obs: 1.862 / Mean I/σ(I) obs: 1.4 / CC1/2: 0.522 / % possible all: 99.7
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Processing
Software
Name
Version
Classification
REFMAC
5.8.0103
refinement
xia2
datareduction
xia2
datascaling
PHASER
phasing
Refinement
Method to determine structure: MOLECULAR REPLACEMENT Starting model: obtained by SeMet SAD phasing Resolution: 2→54.48 Å / Cor.coef. Fo:Fc: 0.934 / Cor.coef. Fo:Fc free: 0.919 / SU B: 7.235 / SU ML: 0.104 / Cross valid method: THROUGHOUT / ESU R: 0.154 / ESU R Free: 0.149 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.23613
1209
4.9 %
RANDOM
Rwork
0.19185
-
-
-
obs
0.194
23410
99.89 %
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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