Mass: 18.015 Da / Num. of mol.: 129 / Source method: isolated from a natural source / Formula: H2O
Compound details
ENGINEERED RESIDUE IN CHAIN A, ASP 57 TO GLY ENGINEERED RESIDUE IN CHAIN A, LEU 79 TO MET ...ENGINEERED RESIDUE IN CHAIN A, ASP 57 TO GLY ENGINEERED RESIDUE IN CHAIN A, LEU 79 TO MET ENGINEERED RESIDUE IN CHAIN A, GLN 89 TO LYS
Sequence details
E28D IS A NATURAL VARIANT
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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: 2.19 Å3/Da / Density % sol: 43.4 % / Description: NONE
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Data collection
Diffraction
Mean temperature: 100 K
Diffraction source
Source: ROTATING ANODE / Wavelength: 1.5418
Detector
Date: Sep 3, 2008 / Details: OSMIC BLUE MIRRORS
Radiation
Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 1.5418 Å / Relative weight: 1
Reflection
Resolution: 1.5→24.37 Å / Num. obs: 18213 / % possible obs: 100 % / Observed criterion σ(I): 2 / Redundancy: 12.8 % / Rmerge(I) obs: 0.03 / Net I/σ(I): 24.3
Reflection shell
Resolution: 1.5→1.58 Å / Redundancy: 10.8 % / Rmerge(I) obs: 0.32 / Mean I/σ(I) obs: 4.1 / % possible all: 100
Resolution: 1.6→24.37 Å / Cor.coef. Fo:Fc: 0.946 / Cor.coef. Fo:Fc free: 0.928 / SU B: 1.624 / SU ML: 0.059 / Cross valid method: THROUGHOUT / ESU R: 0.102 / ESU R Free: 0.102 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS.
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.25003
754
5 %
RANDOM
Rwork
0.21583
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obs
0.21745
14296
99.99 %
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Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: MASK