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. 2018 Jun 27;74(Pt 7):671–680. doi: 10.1107/S205979831800774X

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 factor2) 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§2)
  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

As defined in XDS (Kabsch, 2010).

As defined in SHARP (Bricogne et al., 2003).

§

As defined in REFMAC5 (Murshudov et al., 2011).

As defined in MolProbity (Chen et al., 2010).