Table 2.
PDB ID Code | 5LXE |
Space group | P212121 |
Resolution (Å) | 1.47 |
a, b, c (Å) | 81.4, 88.1, 88.8 |
R sym a,b (%) | 5.0 (55.0) |
Completenessb (%) | 98.7 (96.9) |
Unique reflections | 106,774 |
Redundancyb | 3.9 (3.1) |
I/σb | 10.9 (1.7) |
Number of atoms | |
Protein | 4933 |
Sulfate/glycerol/water | 2 × 5/2 × 6/571 |
Average B value for all atoms (Å2) | 25.0 |
R cryst b,c (%) | 16.2 (27.1) |
R free b, c (%) | 18.5 (25.1) |
Rms bond length (Å) | 0.021 |
Rms bond angles (°) | 2.02 |
Ramachandran outliers | 0 |
a R sym = ∑|Ii − <I > |/∑Ii, where Ii is the intensity of i th observation and I is the mean intensity of the reflection
bValues in parentheses are for reflections in the highest resolution shell
c R cryst = ∑|F obs − F calc|/∑|F obs| where F obs and F calc are the observed and calculated structure factor amplitudes, respectively. R cryst and R free were calculated using the working and test sets, respectively