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. 2009 Dec 21;66(Pt 1):2–11. doi: 10.1107/S0907444909037731

Table 1. Summary of 2.0 Å lysozyme data sets.

Values in parentheses are for lowest resolution (∞–6.32 Å) and highest resolution (2.11–2.00 Å) bins. The actual low-resolution limit of the data was 15–20 Å.

Name Laue best Laue firsts Laue small firsts Laue single-crystal Mono complete Mono small
Crystals/frames 7/36 18/18 5/5 1/5 1/60 1/22
Completeness (%) 89.6 (83.3, 74.9) 90.2 (86.9, 81.3) 70.4 (61.3, 49.1) 70.9 (52.7, 50.8) 98.3 (89.2, 99.4) 70.7 (54.0, 71.4)
Multiplicity 7.7 (4.5, 4.1) 5.5 (4.0, 3.0) 2.2 (1.8, 1.6) 2.3 (1.9, 1.6) 4.5 (3.5, 4.6) 2.3 (2.3, 2.3)
Rmerge 0.174 (0.098, 0.300) 0.200 (0.150, 0.217) 0.144 (0.125, 0.151) 0.127 (0.069, 0.206) 0.052 (0.046, 0.171) 0.049 (0.032, 0.118)
Rp.i.m. 0.057 (0.048, 0.139) 0.072 (0.074, 0.112) 0.093 (0.099, 0.119) 0.080 (0.051, 0.157) 0.027 (0.024, 0.083) 0.036 (0.023, 0.083)
MOLREP score 0.524 0.528 0.485 0.494 0.551 0.494
R after rigid-body refinement 0.392 0.394 0.390 0.384 0.399 0.394
R/Rfree after all refinement 0.266/0.318 0.259/0.319 0.256/0.331 0.264/0.320 0.241/0.265 0.228/0.266

R merge (from SCALA) = Inline graphic Inline graphic.

R p.i.m. = Inline graphic Inline graphic (Diederichs & Karplus, 1997; Weiss, 2001).