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. 2013 Apr 16;23(6):775–787. doi: 10.1038/cr.2013.54

Table 1. Data collection and refinement statistics.

Crystal statistics LepB1-618 SeMet LepBdrancourtii-Rab1
Data collection statistics
Space group C2221 P6522
Wavelength (Å) 0.9792 0.9792
a, b, c, (Å) α, β, γ, (°) 101.53, 159.42, 181.15, 90, 90, 90 95.56, 95.56, 197.72, 90, 90, 120
Resolution range (Å)* 20-3.15 (3.20-3.15) 20-2.80 (2.85-2.80)
No. of unique reflections 25525 (1163) 14058 (681)
Completeness (%) 99.5 (94.7) 100 (99)
Redundancy 13.5 (8.7) 10.5 (10.7)
I/σI 28.87 (2.00) 17.56 (3.45)
Rmerge (%) 12.8 (92.6) 15.8 (77.2)
Refinement statistics
Rwork/Rfree (%) 26.40/28.30 22.91/26.91
No. of protein atoms 6894 3625
No. of waters 5 4
RMSD bond lengths (Å) 0.010 0.016
RMSD bond angles (°) 1.367 1.419
Ramachandran plot statistics
Most favored regions (%) 92.60 95.94
Additional allowed regions (%) 6.70 4.06
Outlier region (%) 0.7  

*The data for the highest resolution shell are shown in parentheses.

Rfree is calculated by omitting 5% of the total number of reflections in model refinement.