Component-ID: 1 / Ens-ID: 1 / Beg auth comp-ID: VAL / Beg label comp-ID: VAL / End auth comp-ID: HIS / End label comp-ID: HIS / Auth seq-ID: 2 - 191 / Label seq-ID: 2 - 191
Dom-ID
Selection details
Auth asym-ID
Label asym-ID
1
chainA
A
A
2
chainB
B
B
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Components
#1: Protein
N-terminalacetyltransferase-likeprotein
Mass: 22977.893 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Chaetomium thermophilum (strain DSM 1495 / CBS 144.50 / IMI 039719) (fungus) Strain: DSM 1495 / CBS 144.50 / IMI 039719 / Gene: CTHT_0066240 / Production host: Escherichia coli (E. coli) / References: UniProt: G0SGG4
#2: Protein/peptide
CMC-MET-ASP-GLU-LEU
Mass: 506.570 Da / Num. of mol.: 2 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others)
Mass: 18.015 Da / Num. of mol.: 577 / Source method: isolated from a natural source / Formula: H2O
Has ligand of interest
Y
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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: 2.72 Å3/Da / Density % sol: 54.86 %
Crystal grow
Temperature: 291 K / Method: vapor diffusion, sitting drop / pH: 8.5 Details: CtNaa20 was concentrated to 20 mg/ml and mixed in a 1:3 molar ratio with CoA-Ac-MDEL. The crystallization drops contained 200 nl protein solution and 200 nl precipitant solution (15 % (v/v) ...Details: CtNaa20 was concentrated to 20 mg/ml and mixed in a 1:3 molar ratio with CoA-Ac-MDEL. The crystallization drops contained 200 nl protein solution and 200 nl precipitant solution (15 % (v/v) propanol, 0.2 M ammonium acetate and 0.1 M TRIS pH 8.5).
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Data collection
Diffraction
Mean temperature: 100 K / Serial crystal experiment: N
Diffraction source
Source: SYNCHROTRON / Site: PETRA III, EMBL c/o DESY / Beamline: P14 (MX2) / Wavelength: 0.976247 Å
Detector
Type: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Jun 21, 2020
Radiation
Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.976247 Å / Relative weight: 1
Reflection
Resolution: 1.57→47.42 Å / Num. obs: 67562 / % possible obs: 98.7 % / Redundancy: 6.6 % / Biso Wilson estimate: 20.51 Å2 / CC1/2: 0.998 / Rmerge(I) obs: 0.087 / Rpim(I) all: 0.056 / Net I/σ(I): 8.6