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. 2019 Dec 26;29(4):919–929. doi: 10.1002/pro.3802

Table 2.

T33‐53 crystallographic data

T33‐53
Data collection
PDB accession code http://firstglance.jmol.org/fg.htm?mol=5VL4
Beamline APS‐NECAT‐24‐ID‐C
Space group I2(1)3
Unit cell dimensions
a = b = c (Å) 138.4
α = β = γ (°) 90.0
Reflections observed 21,295
Unique reflections 3,554
Wavelength (Å) 0.9795
Resolution (Å) 97.85–4.10
Highest resolution shell (Å) 4.20–4.10
R sym (%) 14.7 (77.6)
CC(1/2) 100.0 (74.2)
I/σ 6.57 (2.31)
Completeness (%) 98.9 (94.9)
Wilson B value (Å2) 135.5
Refinement
Resolution (Å) 97.85–4.10
Resolution (Å) (last shell) 4.58–4.10
Reflections used 3,551
R work(%)/R free (%) 21.0 (27.9)/26.4 (32.4)
Protein molecules in asymmetric unit 1
Number of non‐H atoms 1,179
RMS deviations
Bond lengths (Å) 0.011
Bond angles (°) 1.02
Average B‐factor (Å2) 267.2
Ramachandran plot regions
Favored (%) 97.9
Allowed (%) 1.4
Outliers (%) 0.7