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. 2011 Jul 28;7(7):e1002162. doi: 10.1371/journal.ppat.1002162

Table 1. Crystallographic statistics.

Native SECRET Br-soaked SECRET SECRET/CX3CL1
Data collection
Beamline SSRF BL-17U SSRF BL-17U SSRF BL-17U
Wavelength 0.9793 0.9195 0.9795
Space group C2221 C2221 P3221
Cell dimensions
a, b, c (Å) 72.42, 73.44, 112.41 72.42, 73.42, 112.55 71.33, 71.33, 93.14
α, β, γ (°) 90, 90, 90 90, 90, 90 90, 90, 120
Resolution (Å) 50–1.57 (1.61–1.57) 50.0–1.46 (1.49–1.46) 50.0–2.60 (2.69–2.60)
R merge (%) 7.8 (39.8) 5.7 (24.9) 10.0 (86.7)
I/σI 17.9 (2.4) 58 (9.7) 17.4 (1.8)
Completeness (%) 98.3 (87.6) 100 (100) 99.9 (99.3)
Redundancy 3.9 (3.2) 9.5 (9.0) 7.1 (6.4)
Refinement
Resolution (Å) 30.7–1.57 30.0–2.60
No. Reflections 39277 8262
R work/R free (%) 16.4/19.9 19.6/25.0
No. atoms
Protein 2493 1743
water 466 28
B-factors (Å2)
Protein 20.4 75.6
water 32.7 61.7
R.m.s. deviations
Bond lengths (Å) 0.006 0.010
Bond angles (°) 1.130 1.282
Ramachandran plot
Most favored 88.4 81.1
Allowed 10.9 16.5
Generally allowed 0.3 1.9
Disallowed 0.3 0.5