RLF
Data Collection
Unit-cell parameters (Å, o) a=58.95, b=26.14, c=82.87, β=95.5
Space group
P2
Resolution (Å)1
45.79-1.55 (1.58-1.55)
Wavelength (Å)
1.0000
Temperature (K)
100
Observed reflections
150,129
Unique reflections
36,463
<I/σ(I)>1
11.0 (2.0)
Completeness (%)1
97.6 (98.1)
Multiplicity1
4.1 (4.0)
Rmerge (%)1, 2
7.1 (66.6)
Rmeas (%)1, 4
8.1 (76.6)
Rpim (%)1, 4
3.9 (37.1)
CC1/2 1, 5
0.998 (0.763)
Refinement
Resolution (Å) 1
41.25-1.55
Reflections (working/test)1
34,634/1,819
Rfactor / Rfree (%)1,3
17.5/20.0
No. of atoms (Protein/Heme/Water)
1,686 / 86 / 164
Model Quality
R.m.s deviations
Bond lengths (Å)
0.008
Bond angles (o)
0.961
Mean B-factor (Å2)
All Atoms
23.5
Protein
22.9
Heme
20.2
Water
31.3
Coordinate error
(maximum likelihood) (Å)
0.12
Ramachandran Plot
Most favored (%)
97.6
Additionally allowed (%)
2.4