Table 1 Data collection and refinement statistics
From: Crystal structures of AztD provide mechanistic insights into direct zinc transfer between proteins
PdAztD native | CkAztD native | Apo CkAztD | CkAztD Pb derivative | |
|---|---|---|---|---|
Data collection | ||||
Space group | P212121 | P21 | P21 | P21 |
Cell dimensions | ||||
a, b, c (Å) | 89.5, 96.4, 175.5 | 54.2, 128.8, 56.9 | 56.9, 127.9, 113.2 | 53.6, 128.1, 57.2 |
α, β, γ (°) | 90.0, 90.0, 90.0 | 90.0, 105.2, 90.0 | 90.0, 94.5, 90.0 | 90.0, 100.4, 90.0 |
Wavelength (Å) | 1.00000 | 1.00000 | 1.00000 | 0.95007 |
Resolution (Å) | 79.74–2.15 | 64.40–1.73 | 48.4–1.98 | 48.7–2.33 |
Rsym or Rmerge | 0.10 (0.61)* | 0.06 (0.37) | 0.07 (0.52) | 0.07 (0.63) |
I/σI | 19.7 (2.8) | 10.2 (2.7) | 9.7 (2.1) | 13.9 (2.2) |
Completeness (%) | 96.8 (79.0) | 99.2 (98.6) | 98.6 (96.4) | 99.7 (99.8) |
Redundancy | 7.5 (4.9) | 3.2 (3.1) | 3.4 (3.1) | 3.7 (3.5) |
Refinement | ||||
Resolution (Å) | 79.74–2.15 | 64.4–1.73 | 48. 4–1.98 | |
No. of reflections | 606,009 | 246,042 | 379,354 | |
Rwork/Rfree | 17.9/23.7 | 15.3/18.8 | 19.5/23.8 | |
No. of atoms | ||||
Protein | 11,126 | 6304 | 21,724 | |
Ligand/ion | 8 | 4 | 0 | |
Water | 885 | 700 | 501 | |
B-factors | 32.5 | 30.8 | 42.0 | |
R.m.s. deviations | ||||
Bond lengths (Å) | 0.009 | 0.005 | 0.013 | |
Bond angles (°) | 1.066 | 0.947 | 1.259 | |
