Mass: 15093.737 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Lama glama (llama) / Production host: Escherichia coli (E. coli)
Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.97947 Å / Relative weight: 1
Reflection
Resolution: 1.5→41.9 Å / Num. obs: 17461 / % possible obs: 98.2 % / Redundancy: 2.6 % / Rmerge(I) obs: 0.071 / Net I/σ(I): 10.4
Reflection shell
Resolution: 1.5→1.53 Å / Rmerge(I) obs: 0.4 / Mean I/σ(I) obs: 2.7 / % possible all: 95
-
Processing
Software
Name
Version
Classification
REFMAC
5.8.0049
refinement
XDS
datareduction
Aimless
datascaling
PHASER
phasing
Refinement
Method to determine structure: MOLECULAR REPLACEMENT Starting model: apo T9 Resolution: 1.5→41.59 Å / Cor.coef. Fo:Fc: 0.954 / Cor.coef. Fo:Fc free: 0.941 / SU B: 1.356 / SU ML: 0.05 / Cross valid method: THROUGHOUT / ESU R: 0.08 / ESU R Free: 0.077 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.1931
551
3.2 %
RANDOM
Rwork
0.17166
-
-
-
obs
0.17233
16901
98.06 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å