Mass: 18.015 Da / Num. of mol.: 215 / Source method: isolated from a natural source / Formula: H2O
Nonpolymer details
THE ATOMS C33 OF LIGAND 0F0 IS COVALENTLY LINKED TO SG ATOM GROUP OF C154. THE STARTING MATERIAL OF ...THE ATOMS C33 OF LIGAND 0F0 IS COVALENTLY LINKED TO SG ATOM GROUP OF C154. THE STARTING MATERIAL OF LIGAND 0F0 HAS A DOUBLE BOND BETWEEN C33 AND C32 ATOM GROUPS ((E)-3-(4-(DIMETHYLAMINO)BUT-2-ENAMIDO)-N-(4-((4-(PYRIDIN-3-YL)PYRIMIDIN-2- YL)AMI NO)PHENYL)BENZAMIDE ) AND UNDERGOES TO NUCLEOPHILIC ATTACK WITH RESIDUES C154.
Sequence details
THE SEQUENCE CORRESPONDS TO ISOFORM 3 OF MITOGEN-ACTIVATED PROTEIN KINASE 10 UNP ENTRY P53779-3.
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Experimental details
-
Experiment
Experiment
Method: X-RAY DIFFRACTION / Number of used crystals: 1
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Sample preparation
Crystal
Density Matthews: 2.22 Å3/Da / Density % sol: 44.68 %
Crystal grow
Temperature: 277 K / pH: 7 Details: 50 mM HEPES pH 7.0, 100 mM NaCl, 5% glycerol, 5 mM TCEP, 0.4 mM Zwittergent 3-14), VAPOR DIFFUSION, SITTING DROP, temperature 277K
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Data collection
Diffraction
ID
Mean temperature (K)
Crystal-ID
1
100
1
2
1
Diffraction source
Source
Site
Beamline
ID
Wavelength
SYNCHROTRON
SSRL
BL11-1
1
0.97945
2
Detector
Type
ID
Detector
Date
Details
MARMOSAIC 325 mm CCD
1
CCD
Apr 28, 2011
RHCOATEDFLATMIRROR
2
Radiation
ID
Monochromator
Protocol
Monochromatic (M) / Laue (L)
Scattering type
Wavelength-ID
1
SIDE SCATTERING BENT CUBE-ROOT I -BEAM SINGLE CRYSTAL
SINGLEWAVELENGTH
M
x-ray
1
2
ASYMMETRICCUT4.965DEGS
x-ray
1
Radiation wavelength
Wavelength: 0.97945 Å / Relative weight: 1
Reflection
Resolution: 2.97→156.26 Å / Num. obs: 16326 / % possible obs: 100 % / Observed criterion σ(I): 0 / Redundancy: 7.1 % / Biso Wilson estimate: 66.1 Å2 / Rmerge(I) obs: 0.129 / Net I/σ(I): 13.2
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