Mass: 18.015 Da / Num. of mol.: 288 / Source method: isolated from a natural source / Formula: H2O
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Details
Compound details
CATALYZES THE 6-ELECTRON OXIDATION OF PROTOPORPHYRINOGEN IX TO FORM PROTOPORPHYRIN IX.
Sequence details
THE FIRST MET IN THE PPOX SEQUENCE WAS REPLACED BY THE HIS TAG IN THE CONSTRUCT, BUT THIS RESIDUE ...THE FIRST MET IN THE PPOX SEQUENCE WAS REPLACED BY THE HIS TAG IN THE CONSTRUCT, BUT THIS RESIDUE WAS NOT OBSERVED IN THE STRUCTURE
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Experimental details
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Experiment
Experiment
Method: X-RAY DIFFRACTION / Number of used crystals: 1
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Sample preparation
Crystal
Density Matthews: 3.66 Å3/Da / Density % sol: 66.17 %
Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 1.488 Å / Relative weight: 1
Reflection
Resolution: 2.3→49.4 Å / Num. obs: 55419 / % possible obs: 75.2 % / Observed criterion σ(I): 1 / Redundancy: 2.5 % / Rmerge(I) obs: 0.07 / Net I/σ(I): 8.7
Reflection shell
Resolution: 2.3→2.38 Å / Rmerge(I) obs: 0.53 / Mean I/σ(I) obs: 1 / % possible all: 46.7
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Processing
Software
Name
Version
Classification
REFMAC
5.2.0005
refinement
HKL-2000
datareduction
HKL-2000
datascaling
Refinement
Method to determine structure: OTHER / Resolution: 2.3→49.39 Å / Cor.coef. Fo:Fc: 0.923 / Cor.coef. Fo:Fc free: 0.893 / SU B: 7.202 / SU ML: 0.175 / Cross valid method: THROUGHOUT / ESU R: 0.292 / ESU R Free: 0.247 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. RESIDUES 87-93 IN BOTH MOLECULES COULD NOT BE MODELLED VERY ACCURATELY DUE TO LOTS OF NOISE IN THE MAPS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.283
1748
3.1 %
RANDOM
Rwork
0.234
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obs
0.235
55419
86.3 %
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Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK