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. 2016 Mar 29;291(21):10950–10960. doi: 10.1074/jbc.M116.715912

TABLE 1.

Crystallization, data collection, and refinement

MazF-d(AUACAUA) MazFE24A - MazE(68–82) MazFE24A - MazE(68–82)
Crystallization
    Protein solution 18 mg/ml (0.7 mm) EcMazF + 4.2 mm oligonucleotide in 50 mm phosphate, pH 7.0, 150 mm NaCl 10 mg/ml (0.4 mm) EcMazFE24A + 2.5 mm MazE (68–82) in 20 mm Tris-HCl, pH 7.0, 150 mm NaCl 10 mg/ml (0.4 mm) EcMazFE24A + 2.5 mm MazE (68–82) in 20 mm Tris-HCl, pH 7.0, 150 mm NaCl
    Reservoir solution 0.2 m CH3COONa, 0.1 m Tris-HCl, pH 8.5, 30% PEG 4000 0.2 m MgCl, 0.1 m (CH3)2AsO2Na, pH 6.5, 50% PEG6000 24% PEG1500, 20% glycerol
    Drop contents 0.1 + 0.1 μl 0.1 + 0.1 μl 0.1 + 0.1 μl

Data collection
    Space group P3121 C2 P61
    Cell dimensions 114, 114, 47.5 68.8, 32.2, 86.3 52.2, 52.2,198
90, 90, 120 90, 97.7, 90 90, 90, 120
    Resolution range 47.51–2.90 (3.07–2.90) 42.74–1.63 (1.73–1.63) 44.04–2.48 (2.63–2.48)
    Rsym 0.224 (0.778) 0.105 (0.732) 0.087 (0.883)
    I/σ (I) 7.62 (2.10) 11.10 (2.11) 10.83 (1.64)
    Completeness (%) 92.2 (92.4) 95.9 (90.9) 98.7 (98.4)
    Unique reflections 7,461 (1130) 22,847 (3469) 10,603 (1,681)
    Total no. of reflections 40,771 (10,292) 82,883 (12,312) 39,042 (6,268)
    Wavelength (Å) 0.9801 0.9801 0.9801

Refinement
    Rwork/Rfree 0.223/0.290 0.178/0.236 0.197/0.248
    Root mean square deviation Bond angles (°) 0.73 1.05 1.23
    Root mean square deviation Bond lengths (Å) 0.004 0.020 0.010
    Content asymmetric unit 1.5 MazF dimers + 3 DNA fragments 1 MazF dimer + 1 MazE peptide 1 MazF dimer + 1 MazE peptide
    No. of atoms Protein 2,558 1,500 1,592
Solvent 96 663 33
Other 152
    Average B-factor (Å2) All atoms 38.32 25.31 68.25
Protein 38.47 23.11 68.29
Solvent 25.95 45.19 61.75
    Ramachandran profile (%) Core region 97.0 98.7 98.1
Additional allowed 3.0 1.3 1.9
disallowed
    PDB code 5CR2 5CQX 5CQY