Table 1.
Data Collection | Glucose Isomerase Embedded in WS | Lysozyme Embedded in WS | Glucose Isomerase Embedded in Alginate | Lysozyme Embedded in Alginate |
---|---|---|---|---|
Energy (eV) | 12,659 | |||
Expose time | 100 ms | |||
Space group | I222 | P43212 | I222 | P43212 |
Cell dimension (Å) | ||||
a | 94.49 | 79.36 | 94.09 | 79.45 |
b | 100.19 | 79.36 | 99.88 | 79.45 |
c | 103.40 | 38.63 | 103.00 | 38.47 |
Collected images | 81,798 | 34,484 | 25,000 | 4563 |
Hits images | 8361 | 4231 | 10,268 | 3968 |
Indexed images | 7732 | 3789 | 9946 | 1506 |
Indexed pattern | 8281 | 4383 | 11,289 | 2066 |
Resolution (Å) | 72.5-2.00 (2.07-2.00) |
80.0-2.00 (2.07-2.00) |
72.5-2.00 (2.07-2.00) |
80.0-1.90 (1.97-1.90) |
Unique reflections | 33,248 (3247) | 8808 (844) | 32,970 (3233) | 10,209 (989) |
Completeness (%) | 100.0 (100.0) | 100.0 (100.0) | 100.0 (100.0) | 100.0 (100.0) |
Redundancy | 148.5 (101.5) | 126.6 (88.4) | 241.9 (167.8) | 158.1 (112.7) |
SNR | 4.01 (1.59) | 4.04 (1.59) | 4.19 (1.28) | 3.91 (1.31) |
CC | 0.9755 (0.5966) | 0.9637 (0.6351) | 0.9817 (0.4492) | 0.9672 (0.4418) |
CC* | 0.9937 (0.8644) | 0.9907 (0.8814) | 0.9953 (0.7873) | 0.9916 (0.7828) |
Rpslit (%) a | 17.22 (65.64) | 17.06 (66.17) | 18.99 (87.37) | 17.70 (85.37) |
Wilson B factor (Å2) | 28.23 | 32.20 | 22.48 | 27.89 |
Refinement | ||||
Resolution (Å) | 70.29-2.00 | 56.13-2.00 | 71.70-2.00 | 56.18-1.90 |
Rwork/Rworkb | 17.05/21.30 | 18.41/23.33 | 19.23/22.58 | 18.96/23.82 |
R.m.s. deviations | ||||
Bond length (Å) | 0.007 | 0.006 | 0.007 | 0.008 |
Bond angle (°) | 0.860 | 0.838 | 0.836 | 0.970 |
B factors (Å) | ||||
Protein | 29.59 | 38.61 | 26.29 | 33.55 |
Ligands | 38.88 | 47.50 | 40.40 | 41.15 |
Ramachandran (%) | ||||
Preferred | 95.72 | 95.80 | 96.22 | 95.97 |
Allowed | 3.74 | 4.20 | 3.24 | 4.03 |
Outliers | 0.53 | 0 | 0.54 | 0 |
Values for the outer shell are given in parentheses. a Rsplit = . b Rwork is defined as Σ||Fobs|-|Fcalc||/Σ|Fobs|, where Fobs and Fcalc are the observed and calculated structure-factor amplitudes, respectively; and Rfree represents the R factor for the test set (10% of the data). CC refers to Pearson’s correlation coefficient, and CC* = .