OXYGEN TRANSPORT / DROSOPHILA MELANOGASTER HEMOGLOBIN / HEME HEXACOORDINATION / INSECT HEMOGLOBIN / PROTEIN CAVITIES / PROTEIN STRUCTURE OXYGEN TRANSPORT
Function / homology
Function and homology information
lactoperoxidase activity / peroxidase / oxygen transport / oxygen carrier activity / oxygen binding / peroxidase activity / response to hypoxia / iron ion binding / heme binding / plasma membrane / cytoplasm Similarity search - Function
Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.973 Å / Relative weight: 1
Reflection
Resolution: 1.2→20 Å / Num. obs: 36706 / % possible obs: 87.9 % / Observed criterion σ(I): 2 / Redundancy: 4 % / Rmerge(I) obs: 0.13 / Net I/σ(I): 12
Reflection shell
Resolution: 1.2→1.26 Å / Redundancy: 3 % / Rmerge(I) obs: 0.11 / Mean I/σ(I) obs: 7 / % possible all: 92
-
Processing
Software
Name
Version
Classification
REFMAC
5.2.0003
refinement
MOSFLM
datareduction
SCALA
datascaling
Refinement
Method to determine structure: OTHER Starting model: NONE Resolution: 1.2→28.75 Å / Cor.coef. Fo:Fc: 0.982 / Cor.coef. Fo:Fc free: 0.977 / SU B: 0.862 / SU ML: 0.018 / Cross valid method: THROUGHOUT / ESU R: 0.037 / ESU R Free: 0.038 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS.
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.134
1800
5 %
RANDOM
Rwork
0.101
-
-
-
obs
0.102
34149
86.1 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK