Table 1 Data Collection and Refinement Statistics.
From: Allosteric inhibition of aminopeptidase N functions related to tumor growth and virus infection
Se-Met pAPNeh | pAPN | hAPN | |
|---|---|---|---|
Data Collection | |||
Space group | P21 | P1 | P212121 |
Cell dimensions | |||
a, b, c (Å) | 66.5, 215.7, 78.6 | 78.7, 78.8, 223.9 | 127.1, 168.9, 244.2 |
α, β, γ (°) | 90.0, 91.9, 90.0 | 99.7, 92.6, 111.3 | 90.0, 90.0, 90.0 |
Resolution (Å) | 25–2.5 (2.64) | 25–2.0 (2.11) | 20–2.6 (2.74) |
Unique reflections | 73986 | 322701 | 160355 |
Redundancy | 4.1 (3.9) | 2 (2.0) | 4.2 (4.1) |
Completeness (%) | 97 (95.5) | 97.5 (96.6) | 99.4 (99.8) |
Rsym or Rmerge | 10.5 (35.6) | 7.5 (20.7) | 5 (35.3) |
I/s(I) | 6 (1.8) | 8.5 (3.6) | 12.3 (2.1) |
CC(1/2) | 0.986 (0.854) | 0.981 (0.927) | 0.999 (0.934) |
Refinement | |||
Resolution (Å) | 25.0–2.5 (2.56) | 25.0–2.0 (2.02) | 20–2.6 (2.63) |
Rwork | 19.0 (23.6) | 17.1 (19.8) | 18.1 (27.6) |
Rfree | 22.9 (28.8) | 20.6 (25.0) | 21.4 (32.3) |
No. of atoms | |||
Protein | 14292 | 28817 | 29182 |
Carbohydrates | 252 | 726 | 1417 |
Ligands | — | 16 | — |
Ion (Zn) | 2 | 4 | 4 |
Water | 381 | 4899 | 707 |
Average B-factors | |||
Protein | 20 | 13 | 55 |
Carbohydrates | 37 | 32 | 101 |
Ligands | — | 11 | — |
Ions (Zn) | 17 | 6 | 43 |
Water | 20 | 26 | 47 |
R.m.s deviations | |||
Bond lengths (Å) | 0.009 | 0.009 | 0.004 |
Bond angles (°) | 1.28 | 0.977 | 0.77 |
Ramachandran plot | 96.0/3.5/0 | 96.6/3.4/0 | 96.6/3.4/0 |
Molecules asu | 2 | 4 | 4 |
PDB code | 5LG6 | 5LDS | 5LHD |
