Data processing |
Space group |
P212121
|
Unit cell dimension |
a = 64.1 Å, b = 65.3 Å, c = 85.8 Å |
No. of monomers per asymmetrical unit |
1 |
Resolution range (outer shell) |
50–1.45 (1.50–1.45) |
Number of observations |
846,244 |
Number of unique reflections |
64,209 |
Completeness (outer shell) |
89.6 (99.6) |
Rsym (outer shell) |
10.1 (44.5) |
I/σ (outer shell) |
32 (3.8) |
Structural refinement |
Resolution range (Å) |
10–1.45 |
Rwork/Rfree
|
19.7/23.7% |
R.m.s. deviations from ideal values |
Bond length (Å) |
0.015 |
Bond angles (°) |
1.8 |
Agreement of (φ,ψ) with Ramachandran plot |
Favored region (disallowed) |
92.9% (0%) |
Mean B value (Å2) |
Phosphagen substrate |
creatine : 34.6 |
Protein |
(2816 atoms) 15.6 |
Main-chain atoms |
13.3 |
Side-chain atoms |
17.9 |
Water molecules |
23.4 (431) |