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 |