Mass: 18.015 Da / Num. of mol.: 231 / Source method: isolated from a natural source / Formula: H2O
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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: 3.61 Å3/Da / Density % sol: 65.94 %
Crystal grow
Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 4.8 Details: DROPS WERE FORMED BY MIXING EQUAL AMOUNTS OF 18-24 MG/ML PROTEIN IN 100 MM HEPES PH 7.0, 400 MM NACL, 30% GLYCEROL, 1 MM EDTA AND 10 MM N,N- DIMETHYLUNDECYLAMIN-N-OXIDE (C11DAO) WITH A ...Details: DROPS WERE FORMED BY MIXING EQUAL AMOUNTS OF 18-24 MG/ML PROTEIN IN 100 MM HEPES PH 7.0, 400 MM NACL, 30% GLYCEROL, 1 MM EDTA AND 10 MM N,N- DIMETHYLUNDECYLAMIN-N-OXIDE (C11DAO) WITH A PRECIPITANT SOLUTION OF 0.1 M ACETATE PH 4.8 40 MM C11DAO, 20.8 MM N,-DIMETHYLDECYLAMINE-N-OXIDE (DDAO), 2 MM DIHYDROOROTATE (DHO) THE HANGING DROPS WERE INCUBATED AGAINST 0.5 ML RESERVOIR OF 0.1 M ACETATE PH 4.8, 1.6-2.2 M AMMONIUM SULFATE AND 30% GLYCEROL., VAPOR DIFFUSION, HANGING DROP, temperature 293K
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Data collection
Diffraction
ID
Mean temperature (K)
Crystal-ID
1
100
1
2
1
Diffraction source
Source: SYNCHROTRON / Site: MAX II / Beamline: I711 / Wavelength: 1.092 Å
Detector
Type: MAR scanner 345 mm plate / Detector: IMAGE PLATE / Date: Apr 27, 2004 / Details: mirrors
Radiation
ID
Protocol
Monochromatic (M) / Laue (L)
Scattering type
Wavelength-ID
1
SINGLEWAVELENGTH
M
x-ray
1
2
SINGLEWAVELENGTH
M
x-ray
1
Radiation wavelength
Wavelength: 1.092 Å / Relative weight: 1
Reflection
Resolution: 2.1→18.83 Å / Num. obs: 33570 / % possible obs: 98 % / Observed criterion σ(I): -3 / Biso Wilson estimate: 22.487 Å2 / Rmerge(I) obs: 0.114 / Net I/σ(I): 12.17
Reflection shell
Diffraction-ID: 1,2
Resolution (Å)
Highest resolution (Å)
Rmerge(I) obs
Mean I/σ(I) obs
Num. measured obs
Num. unique all
% possible all
2.1-2.2
0.327
5.8
26848
4367
99.5
2.2-2.3
0.271
6.7
22493
3643
99.2
2.3-2.4
0.255
7.1
18935
3055
99.1
2.4-2.6
0.208
8.2
29772
4785
98.9
2.6-2.7
0.173
9.6
11800
1900
98.9
2.7-3
0.14
10.9
26614
4269
98.4
3-4
0.082
16.6
41760
6665
97.6
4-5
0.058
24
14896
2381
96.4
5-6
0.061
22.8
6695
1065
95.6
6
0.047
28.6
8752
1440
93.4
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Processing
Software
Name
Version
Classification
NB
REFMAC
5.2.0019
refinement
REFMAC
5.2.0019
refinement
REFMAC
5.2.0019
refinement
MAR345dtb
datacollection
XDS
datareduction
XSCALE
datascaling
CNS
phasing
Refinement
Method to determine structure: MOLECULAR REPLACEMENT Starting model: 1d3g
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