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. 2015 Jun 23;290(32):19597–19613. doi: 10.1074/jbc.M115.655654

TABLE 2.

Data collection statistics for Epa1A and Epa6A complexes

Values for the highest resolution shell are shown in parentheses.

Epa1A·T-antigen Epa6A·lactose Epa6A·T-antigen Epa6A·N-acetyl-d-lactosamine Epa6A·lacto-N-biose Epa6A·α1–3-galactobiose
PDB code 4D3W 4COU 4COW 4COY 4COZ 4COV
X-ray source 14.1, BESSY 14.1, BESSY P14, PETRA III 14.1, BESSY P14, PETRA III 14.1, BESSY
Wavelength (Å) 0.91841 0.91841 0.826606 0.918409 0.826606 0.918409
Cell dimensions (Å) a = 55.01, b = 55.01, c = 139.75 a = 41.3, b = 61.1, c = 106.3 a = 41.35, b = 61.10, c = 106.61 a = 41.47, b = 63.33, c = 110.25 a = 41.28, b = 61.26, c = 106.62 a = 41.52, b = 63.29, c = 110.30
Resolution (Å) 24.60-1.50 (1.58-1.50) 28.77-1.48 (1.56-1.48) 34.24-2.00 (2.11-2.00) 41.58-1.80 (1.90-1.80) 53.12-2.25 (2.37-2.25) 41.58-1.50 (1.58-1.50)
Observed reflections 384,090 174,129 109,348 146,305 120,749 257,032
Unique reflections 35,383 45,573 18,879 27,537 13,420 47,367
Completeness (%) 100 (100) 99.7 (99.9) 99.8 (99.7) 99.5 (99.5) 99.9 (100) 99.9 (99.9)
Multiplicity 10.9 (10.6) 3.8 (3.8) 5.8 (5.7) 5.3 (5.0) 9.0 (9.2) 5.4 (5.2)
Mean I/σ(I) 13.4 (4.2) 21.1 (2.9) 11.9 (2.7) 17.1 (4.4) 12.1 (3.5) 20.7 (3.0)
Rmerge (%) 10.1 (50.5) 4.4 (57.1) 12.3 (60.4) 9.2 (40.4) 17.3 (64.7) 4.6 (52.0)
Rwork/Rfree (%) 15.8/18.3 14.4/17.2 17.7/23.0 18.7/22.3 17.8/22.0 15.0/17.6
Total reflections 33528 44337 14534 26129 11930 46100
Test set reflections 1767 1173 740 1378 624 1223
No. of atoms (total) 2183 2109 2056 2197 2013 2219
No. of atoms (water) 234 245 198 320 178 338
Mean B value (Å2) 15.6 19.2 25.1 16.3 23.9 20.2
Root mean square deviations bond lengths (Å) 0.012 0.008 0.010 0.010 0.008 0.007
Root mean square deviations bond angles (°) 1.611 1.295 1.319 1.384 1.209 1.134