Table 1.
Data collection | Lysozyme |
---|---|
Energy (eV) | 12,659 |
Expose time (ms) | 100 |
Space group | P43212 |
Cell dimension (Å) | |
a | 79.45 |
b | 79.45 |
c | 38.47 |
Collected images | 36,450 |
Hits images | 11,958 |
Indexed images | 7288 |
Indexed pattern | 7423 |
Resolution (Å) | 80.0–1.65 (1.71–1.65) |
Unique reflections | 15,398 (1498) |
Completeness (%) | 100.0 (99.93) |
Multiplicity | 83.7 (57.7) |
SNR | 6.58 (1.58) |
CC | 0.9836 (0.5635) |
CC* | 0.9958 (0.8490) |
Rsplit (%)a | 10.69 (70.26) |
Wilson B factor (Å2) | 31.76 |
Refinement | |
Resolution (Å) | 56.18–1.65 (1.70–1.65) |
Rworkb | 17.85 (27.74) |
Rfreec | 20.87 (27.92) |
R.m.s. deviations | |
Bond length (Å) | 0.013 |
Bond angle (°) | 1.618 |
B factors (Å) | |
Protein | 31.23 |
Water | 34.03 |
Ramachandran (%) | |
Preferred | 98.43 |
Allowed | 1.57 |
Outliers | 0.00 |
Highest resolution shell is shown in parentheses.
aRsplit = .
bRwork = Σ||Fobs| − |Fcalc||/Σ|Fobs|, where Fobs and Fcalc are the observed and calculated structure-factor amplitudes respectively.
cRfree was calculated as Rwork using a randomly selected subset of unique reflections not used for structure refinement.