development of primary sexual characteristics / PRC1 complex / PcG protein complex / SUMOylation of DNA methylation proteins / SUMOylation of RNA binding proteins / RUNX1 interacts with co-factors whose precise effect on RUNX1 targets is not known / heterochromatin / SUMOylation of DNA damage response and repair proteins / methylated histone binding / SUMOylation of chromatin organization proteins ...development of primary sexual characteristics / PRC1 complex / PcG protein complex / SUMOylation of DNA methylation proteins / SUMOylation of RNA binding proteins / RUNX1 interacts with co-factors whose precise effect on RUNX1 targets is not known / heterochromatin / SUMOylation of DNA damage response and repair proteins / methylated histone binding / SUMOylation of chromatin organization proteins / SUMOylation of transcription cofactors / Regulation of PTEN gene transcription / euchromatin / chromatin organization / Oxidative Stress Induced Senescence / cell differentiation / chromatin binding / negative regulation of transcription by RNA polymerase II / DNA binding / nucleoplasm / nucleus Similarity search - Function
Chromobox protein homolog 2 / CBX family C-terminal motif / CBX family C-terminal motif / Chromo domain, conserved site / Chromo domain signature. / Chromo domain / Chromo (CHRromatin Organisation MOdifier) domain / Chromo and chromo shadow domain profile. / OB fold (Dihydrolipoamide Acetyltransferase, E2P) - #40 / Chromo/chromo shadow domain ...Chromobox protein homolog 2 / CBX family C-terminal motif / CBX family C-terminal motif / Chromo domain, conserved site / Chromo domain signature. / Chromo domain / Chromo (CHRromatin Organisation MOdifier) domain / Chromo and chromo shadow domain profile. / OB fold (Dihydrolipoamide Acetyltransferase, E2P) - #40 / Chromo/chromo shadow domain / Chromatin organization modifier domain / Chromo-like domain superfamily / OB fold (Dihydrolipoamide Acetyltransferase, E2P) / Beta Barrel / Mainly Beta Similarity search - Domain/homology
Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 1.5418 Å / Relative weight: 1
Reflection
Resolution: 1.8→34.16 Å / Num. obs: 10262 / % possible obs: 100 % / Redundancy: 10.6 % / Rmerge(I) obs: 0.067 / Net I/σ(I): 29.2
Reflection shell
Resolution: 1.8→1.84 Å / Redundancy: 10.3 % / Rmerge(I) obs: 0.886 / Mean I/σ(I) obs: 3.1 / % possible all: 100
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Processing
Software
Name
Version
Classification
REFMAC
5.8.0123
refinement
Aimless
0.5.1
datascaling
PDB_EXTRACT
3.2
dataextraction
PHASER
phasing
Refinement
Resolution: 1.8→34 Å / Cor.coef. Fo:Fc: 0.956 / Cor.coef. Fo:Fc free: 0.945 / SU B: 3.69 / SU ML: 0.066 / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.096 / ESU R Free: 0.094 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: PHENIX.ELBOW/MOGUL WAS USED TO GENERATE GEOMETRY RESTRAINTS FOR INHIBITOR BUILDING BLOCKS. JLIGAND WAS USED FOR PREPARATION OF LINK RESTRAINTS. LINK RESTRAINTS WERE MANUALLY MODIFIED, FOR ...Details: PHENIX.ELBOW/MOGUL WAS USED TO GENERATE GEOMETRY RESTRAINTS FOR INHIBITOR BUILDING BLOCKS. JLIGAND WAS USED FOR PREPARATION OF LINK RESTRAINTS. LINK RESTRAINTS WERE MANUALLY MODIFIED, FOR EXAMPLE TO ESTABLISH PLANAR GEOMETRY OF METHYL ESTER TERMINUS OF INHIBITOR. COOT WAS USED FOR INTERACTIVE MODEL BUILDING. MODEL GEOMETRY WAS EVALUATED WITH MOLPROBITY. ELECTRON DENSITY DOES NOT FULLY RESOLVE THE LIGAND'S N-EPSILON ETHYLATION AND C-TERMINAL SERINE METHYL ESTER MOIETY.
Rfactor
Num. reflection
% reflection
Rfree
0.212
506
4.9 %
Rwork
0.189
-
-
obs
0.19
9752
100 %
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK