Table III.
gp10044–59–HLA-DR4 | |
---|---|
Data collection statistics | |
Space group | P21212 |
Unit cell (Å, °) | a = 90.3, b = 117.6, c = 41.9 |
Resolution (Å) | 30.0–2.50 |
Observations | 144,536 |
Unique reflections | 14,952 |
Completeness (%)a | 93.0 (71.2) |
Mean I/σ(I)a | 37.6 (6.2) |
Rsym (%)a,b | 6.1 (24.4) |
Refinement statistics | |
Resolution range (Å) | 30.0–2.50 |
Rwork (%)c | 26.9 |
Rfree (%)c | 29.8 |
Protein atoms | 3,133 |
R.m.s. deviations from ideality | |
Bond lengths (Å) | 0.009 |
Bond angles (°) | 1.47 |
Ramachandran plot statistics | |
Most favored (%) | 86.2 |
Additionally allowed (%) | 12.6 |
Generously allowed (%) | 0.9 |
Disallowed | 0.3 |
Values in parentheses are statistics for the highest resolution shell (2.50–2.54 Å).
Rsym = Σ|Ij – <I>|/ΣIj, where Ij is the intensity of an individual reflection and <I> is the average intensity of that reflection.
Rwork = Σ||Fo| – |Fc||/Σ|Fo|, where Fc is the calculated structure factor. Rfree is as for Rwork but calculated for a randomly selected 10.0% of reflections not included in the refinement.