Table 1. Data collection and refinement statistics.
Rep40—ADP | |
---|---|
Data collection | |
Wavelength, Å | 1.1 |
Resolution, Å | 2.1 |
No. of reflections measured | 77,853 |
No. of unique reflections | 15,662 |
% Completeness | 97.9 (93.7) |
Rmeas,*† % | 6.9 (41.7) |
Rmerge,*‡ % | 6.2 (36.7) |
Mean I/σ* | 17.6 (4.3) |
Refinement statistics | |
Resolution range, Å | 20-2.1 |
Reflections, F > 2σ (F) | 14,926 |
Rcrys,§ % | 19.2 |
Rfree,¶ % | 23.7 |
Nonhydrogen atoms | |
Protein | 2,044 |
Water | 213 |
ADP | 27 |
rms deviations | |
Bonds, Å | 0.0175 |
Angles, ° | 2.54 |
Average B factor, Å2 | 33.77 |
Values in parentheses are for the outermost shell.
These values were calculated with the program novel_r (69).
.
Rmerge = Σ |I — 〈I〉|/|Σ|, where I is the integrated intensity of a given reflection.
Rcrys = Σ |Fo| — |Fc|/Σ |F|.
Rfree was calculated by using 10% of data excluded from the refinement.