Lysozyme
Spring-8 BL44XU |
H-Lys |
DCl-Lys |
NaOD-Lys |
| Wavelength (Å) |
0.9 |
0.9 |
0.9 |
| Resolution range (Å) |
33.32 – 0.94
(0.96– 0.94) |
30.77 – 0.90
(0.92 – 0.90) |
33.41 – 0.94
(0.96 – 0.94) |
| Space group |
P43212 |
P43212 |
P43212 |
| Unit cell (Å, deg.) |
78.6 78.6 36.8
90 90 90 |
79.0 79.0 36.9
90 90 90 |
78.9 78.9 36.9
90 90 90 |
| Total reflections |
1,815,518 |
1,822,325 |
1,512,065 |
| Unique reflections |
77,366 (4,524) |
87,610 (4,748) |
78,264 (4,568) |
| Multiplicity |
19.7 (15.6) |
19.6 (14.1) |
17.7 (14.9) |
| Completeness (%) |
99.9 (100.0) |
99.9 (100.0) |
100.0 (100.0) |
| Mean I/sigma(I) |
17.5 (3.9) |
59.0 (4.5) |
957.3 (3.7) |
| Wilson B-factora (Å2) |
8.175 |
7.454 |
7.185 |
| Rbmerge |
0.075 (0.971) |
0.065 (0.788) |
0.096 (0.808) |
| Rcwork |
0.185 |
0.182 |
0.185 |
| Rdfree |
0.208 |
0.194 |
0.200 |
| Number of atoms |
2426 |
2426 |
2426 |
| Macromolecules |
1969 |
1969 |
1969 |
| Ligands |
52 |
52 |
52 |
| Water (oxygene) |
405 (137) |
405 (137) |
405 (137) |
| Protein residues |
129 |
129 |
129 |
| RMS(bonds) (Å) |
0.027 |
0.027 |
0.028 |
| RMS(angles) (deg.) |
2.17 |
2.24 |
2.20 |
Statistics for the highest-resolution shell are shown in parentheses.
aWilson B factor by the Wilson plot computed (ref.11)
bRmerge = Σ (|I-<I>|)/Σ<I>
cRwork = Σ||Fobs|-|Fcalc||/Σ|Fobs|
dRwork is calculated from a set of reflections in which 5% of the total reflections have
been randomly omitted from the refinement and used to calculate Rfree
eNumber of oxygen atoms |
