Mass: 35061.285 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Bacillus thuringiensis serovar israelensis ATCC 35646 (bacteria) Species: Bacillus thuringiensis / Strain: serovar israelensis ATCC 35646 / Gene: plcR / Plasmid: pET 16.28 / Species (production host): Escherichia coli / Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21(DE3) / References: UniProt: Q45782, UniProt: Q3EZ40*PLUS
#2: Protein/peptide
C-terminuspentapeptidefromPapRprotein
Mass: 651.749 Da / Num. of mol.: 2 / Source method: obtained synthetically Details: Synthetic peptide derived from the C-terminus of PapR References: UniProt: Q3EZ39*PLUS
Mass: 18.015 Da / Num. of mol.: 30 / Source method: isolated from a natural source / Formula: H2O
-
Experimental details
-
Experiment
Experiment
Method: X-RAY DIFFRACTION / Number of used crystals: 1
-
Sample preparation
Crystal
Density Matthews: 2.82 Å3/Da / Density % sol: 56.33 %
Crystal grow
Temperature: 291 K / Method: vapor diffusion, hanging drop / pH: 6.3 Details: 40% PEG 200, 100 mM MES, pH 6.3, VAPOR DIFFUSION, HANGING DROP, temperature 291K
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Data collection
Diffraction
ID
Mean temperature (K)
Crystal-ID
1
100
1
2
100
1
1,2
1
Diffraction source
Source
Site
Beamline
ID
Wavelength (Å)
SYNCHROTRON
ESRF
ID29
1
0.976
SYNCHROTRON
ESRF
ID29
2
0.979
Detector
Type
ID
Detector
Date
Details
ADSC QUANTUM 315
1
CCD
Dec 3, 2004
ondulator
ADSC QUANTUM 315
2
CCD
Dec 4, 2004
ondulator
Radiation
ID
Monochromator
Protocol
Monochromatic (M) / Laue (L)
Scattering type
Wavelength-ID
1
Si(111) monochromator
SINGLEWAVELENGTH
M
x-ray
1
2
Si(111) monochromator
SINGLEWAVELENGTH
M
x-ray
1
Radiation wavelength
ID
Wavelength (Å)
Relative weight
1
0.976
1
2
0.979
1
Reflection
Redundancy: 8.3 % / Av σ(I) over netI: 4.2 / Number: 163226 / Rmerge(I) obs: 0.121 / Rsym value: 0.121 / D res high: 2.8 Å / D res low: 74.329 Å / Num. obs: 19572 / % possible obs: 100
Diffraction reflection shell
Highest resolution (Å)
Lowest resolution (Å)
% possible obs (%)
ID
Rmerge(I) obs
Rsym value
Redundancy
8.85
74.33
99.7
1
0.086
0.086
7.8
6.26
8.85
100
1
0.082
0.082
9.1
5.11
6.26
100
1
0.098
0.098
9
4.43
5.11
100
1
0.083
0.083
8.6
3.96
4.43
100
1
0.088
0.088
8.5
3.61
3.96
100
1
0.12
0.12
8.4
3.35
3.61
100
1
0.162
0.162
8.3
3.13
3.35
100
1
0.249
0.249
8
2.95
3.13
100
1
0.425
0.425
8.1
2.8
2.95
100
1
0.686
0.686
8
Reflection
Resolution: 2.6→74.2 Å / Num. obs: 24242 / % possible obs: 100 % / Redundancy: 8.2 % / Biso Wilson estimate: 71.3 Å2 / Rmerge(I) obs: 0.078 / Rsym value: 0.078 / Net I/σ(I): 5.6
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