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. Author manuscript; available in PMC: 2009 Dec 11.
Published in final edited form as: Acta Crystallogr D Biol Crystallogr. 2002 Nov 23;58(Pt 12):2116–2121. doi: 10.1107/s0907444902017055

Table 1.

Data collection and refinement statistics.

Values for highest resolution shell (1.9–1.97 Å for native crystals and 3.4–3.52 Å for SeMet-containing crystals) are shown in parentheses.

Wavelength (Å) Resolution (Å) Rmerge (%) Completeness (%) I/σ(I) at high resolution
Crystal 1 (SeMet)
 Peak 0.97936 50–3.4 9.7 (43.1) 99.9 (99.9) 4.7
 Inflection 0.97950 50–3.4 11.1 (56.9) 99.9 (99.9) 3.1
 Low remote 1.00800 50–3.4 10.8 (58.0) 99.7 (99.0) 1.9
Crystal 2 (native) 0.97934 50–1.9 7.8 (67.7) 100 (100) 3
Refinement.

Resolution (Å) 50–1.9
No. of protein non-H atoms 3238
No. of Mg atoms 3
No. of water molecules 228
No. of reflections 36763
No. of test-set reflections (5%) 1823
R (%) 20.1 (25.4)
Free R (%) 23.5 (29.7)
R.m.s.d. bonds (Å) 0.009
R.m.s.d. angles (°) 1.5
Overall B factor (Å2) 30.8
Ramachandran plot
 Most favored regions (%) 93.9
 Allowed regions (%) 4.4
 Generously allowed regions (%) 1.7
 Disallowed regions (%) 0.0

Ramachandran plot parameters were calculated using PROCHECK (Laskowski et al., 1993).