- PDB-4q4k: Crystal structure of nitronate monooxygenase from Pseudomonas aer... -
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ID or keywords:
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Basic information
Entry
Database: PDB / ID: 4q4k
Title
Crystal structure of nitronate monooxygenase from Pseudomonas aeruginosa PAO1
Components
Nitronate Monooxygenase
Keywords
OXIDOREDUCTASE / TIM barrel / nitronate monooxygenase / FMN binding
Function / homology
Function and homology information
Oxidoreductases; Acting on single donors with incorporation of molecular oxygen (oxygenases); With incorporation of one atom of oxygen (internal monooxygenases or internal mixed-function oxidases) / nitronate monooxygenase activity / response to toxic substance / nucleotide binding Similarity search - Function
Nitronate monooxygenase / Nitronate monooxygenase / Aldolase class I / Aldolase-type TIM barrel / TIM Barrel / Alpha-Beta Barrel / Alpha Beta Similarity search - Domain/homology
Type: MARMOSAIC 225 mm CCD / Detector: CCD / Date: Oct 17, 2013
Radiation
Monochromator: SI 220 / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.8 Å / Relative weight: 1
Reflection
Resolution: 1.43→50 Å / Num. obs: 115873 / % possible obs: 94.1 % / Observed criterion σ(I): 2
Reflection shell
Resolution: 1.43→1.48 Å / Redundancy: 3.5 % / Rmerge(I) obs: 0.456 / Mean I/σ(I) obs: 3.04 / % possible all: 68.9
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Processing
Software
Name
Version
Classification
SERGUI
datacollection
PHASER
phasing
REFMAC
5.8.0049
refinement
HKL-2000
datareduction
HKL-2000
datascaling
Refinement
Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 1.44→37.6 Å / Cor.coef. Fo:Fc: 0.966 / Cor.coef. Fo:Fc free: 0.949 / Cross valid method: THROUGHOUT / ESU R: 0.08 / ESU R Free: 0.084 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.24045
5780
5.1 %
RANDOM
Rwork
0.20257
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obs
0.20448
108413
94.83 %
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all
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117040
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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