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. 2022 Jun 15;14(6):mjac037. doi: 10.1093/jmcb/mjac037

Table 1.

Statistics on the data collection and refinement.

FAF1 UBL1 FAF1 L-UBL1 complexed to
Hsp70 NBD with ADP + Pi
Native SeMet MAD Native
Peak Edge Remote
Data collection
Beam line PLS BL-5C
Wavelength, Å 1.0000 0.9794 0.9796 0.9717 1.0000
Space group P42212 P3121
Cell dimensions
 a, Å 65.02 65.02 103.33
 b, Å 65.02 65.02 103.33
 c, Å 33.56 33.55 127.09
 α, ° 90.00 90.00 90.00
 β, ° 90.00 90.00 90.00
 γ, ° 90.00 90.00 120.00
a Resolution, Å 50.0–1.2 50.0–1.6 50.0–2.2
(1.28–1.20) (1.66–1.60) (2.28–2.20)
Total reflections 659957 321179 321309 32847 1609110
Unique reflections 23153 18815 18830 18813 40388
a Completeness, % 99.7 (99.6) 99.3 (99.0) 99.2 (98.8) 99.2 (98.8) 99.9 (99.9)
a I/σ(I) 49.6 (6.9) 37.9 (6.8) 37.3 (6.9) 37.8 (7.1) 24.4 (5.2)
b R merge, % 5.0 (21.6) 8.3 (20.7) 6.5 (19.6) 6.4 (19.7) 9.8 (32.2)
Refinement
Resolution, Å 50.0–1.2 50.0–2.2
c R cryst/Rfree, % 22.2/24.3 17.4/20.6
No. of protein atoms 591 3638
No. of water atoms 169 454
RMS deviation
 Bond length, Å 0.005 0.007
 Bond angle, ° 0.771 0.876
Ramachandran analysis
 Favored region, % 98.63 96.92
 Allowed region, % 1.37 3.08
PDB code 7FGN 7FGM

a Values in parentheses are for the outer most resolution shell.

b R merge = ∑hi|I(h,i)−<I(h)>|/∑hiI(h,i), where I(h,i) is the intensity of the ith measurement of reflection h and <I(h)> is the mean value of I(h,i) for all i measurements.

c R free was calculated from randomly selected 5% set of reflections not included in the calculation of the R value.