Table 1. Crystallographic data-collection and refinement statistics.
Anx1, (NH4)2PtCl4 derivative | Anx1, native 1 | Anx1, native 2 | Anx2, native | |
---|---|---|---|---|
Data collection | ||||
Space group | P1 | P1 | P1 | C2 |
a, b, c (Å) | 54.78, 68.55, 69.89 | 54.23, 68.50, 69.89 | 53.98, 68.74, 70.02 | 123.56, 41.76, 93.37 |
α, β, γ (°) | 88.04, 75.57, 72.29 | 88.86, 74.71, 71.93 | 88.56, 74.97, 71.74 | 90, 117.4, 90 |
Resolution (Å) | 48.39–2.13 (2.18–2.13) | 48.39–1.89 (2.00–1.89) | 47.27–1.48 (1.52–1.48) | 44.29–1.08 (1.12–1.08) |
R meas † | 0.082 (1.41) | 0.112 (1.16) | 0.062 (2.17) | 0.041 (1.54) |
CC1/2 † (%) | 100 (67.6) | 100 (50.5) | 100 (68.0) | 100 (47.1) |
〈I/σ(I)〉† | 10.7 (1.0) | 6.9 (1.0) | 17.9 (1.2) | 18.98 (0.92) |
Completeness† (%) | 96.2 (81.5) | 93.8 (93.4) | 98.4 (95.6) | 96.1 (80.54) |
Redundancy† | 3.5 (3.3) | 1.8 (1.7) | 10.3 (10.2) | 6.5 (5.0) |
Wilson B factor† (Å2) | 51.0 | 35.8 | 31.4 | 14.70 |
Phasing | ||||
Resolution‡ (Å) | 48.39–3.00 | |||
No. of sites‡ | 10 | |||
Phasing power (iso)‡ | 0.449 | |||
Phasing power (ano)‡ | 0.854 | |||
FOM‡ | 0.344 | |||
Refinement | ||||
Resolution (Å) | 47.27–1.48 (1.52–1.48) | 44.29–1.08 (1.11–1.08) | ||
No. of reflections | 143968 (10394) | 165089 (9560) | ||
R work/R free § | 0.172/0.192 (0.303/0.309) | 0.159/0.182 (0.470/0.535) | ||
No. of atoms | ||||
Protein | 6130 | 3028 | ||
Glycan | 164 | 95 | ||
Calcium | 4 | 2 | ||
Water | 743 | 433 | ||
Residual B factors§ (Å2) | ||||
Protein | 32.6 | 22.2 | ||
Glycan | 51.2 | 37.7 | ||
Calcium | 34.8 | 14.2 | ||
Water | 41.8 | 39.3 | ||
R.m.s. deviations§ | ||||
Bond lengths (Å) | 0.01 | 0.013 | ||
Bond angles (°) | 1.47 | 1.70 | ||
MolProbity results | ||||
Ramachandran outliers¶ (%) | 0.1 | 0.0 | ||
Ramachandran favoured¶ (%) | 97.0 | 98.93 | ||
MolProbity score¶ | 1.0 | 1.30 | ||
PDB code | 6fig | 6fih |