Table 1.
Data Collection | ||
PDB ID code | 3HP3 | 3GV3 |
Space group | P212121 | P3221 |
Cell dimensions | ||
a, b, c (Å) | 41.83, 117.46, 134.50 | 55.51, 55.51, 45.96 |
α, β, γ (°) | 90, 90, 90 | 90, 90, 120 |
Wavelength (Å) | 1.04 | 1.0809 |
Resolution rangea (Å) | 29.2 – 2.20 (2.28 – 2.20) | 30.0 – 1.60 (1.66 – 1.60) |
<I>/<σ I> | 47.8 (4.1) | 26.8 (4.3) |
Completeness | 99.9% (99.9%) | 98.8% (100%) |
Rmerge | 0.063 (0.667) | 0.074 (0.491) |
Redundancy | 14.0 (14.1) | 10.4 (10.5) |
Refinement | ||
Number of refelections | 1418341 | 113767 |
Unique reflections | 39406 (3382) | 10951 (1057) |
Rfactor | 0.22 | 0.20 |
Rfree | 0.27 | 0.25 |
Protein chains | 10 | 1 |
Number of atoms | 5484 | 562 |
Protein | 5241 | 514 |
Water | 231 | 58 |
Gold | 12 | NA |
B-factor average | 29.7 | 23.6 |
R.m.s. deviations | ||
Bong lengths (Å) | 0.008 | 0.031 |
Bond angles (°) | 1.229 | 2.405 |
Molprobity clash score | 12.6 | 16.2 |
Ramachandran plot | ||
Most favored (%) | 94.33 | 98.36 |
Allowed (%) | 4.21 | 1.64 |
Generously Allowed (%) | 1.46 | 0 |
Highest resolution shell is shown in parenthesis.