Mass: 18.015 Da / Num. of mol.: 1508 / 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: 2.29 Å3/Da / Density % sol: 46.23 %
Crystal grow
Temperature: 300 K / Method: vapor diffusion, hanging drop / pH: 6.5 Details: 100 mM Na MES pH 6.5, 200 mM Ammonium sulfate, 20% w/v PEG 5000 MME, VAPOR DIFFUSION, HANGING DROP, temperature 300K
Monochromator: 3 sweeps with various exposure times and oscillation angles Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 1.1 Å / Relative weight: 1
Reflection
Redundancy: 3.2 % / Av σ(I) over netI: 17.15 / Number: 1062888 / Rmerge(I) obs: 0.074 / Χ2: 1.13 / D res high: 1.6 Å / D res low: 50 Å / Num. obs: 336366 / % possible obs: 93.9
Diffraction reflection shell
Highest resolution (Å)
Lowest resolution (Å)
% possible obs (%)
ID
Rmerge(I) obs
Chi squared
Redundancy
4.97
50
98.8
1
0.048
1.321
3.7
3.95
4.97
99.5
1
0.055
1.464
4
3.45
3.95
99.3
1
0.066
1.609
4.5
3.13
3.45
98.6
1
0.075
1.653
4
2.91
3.13
98.5
1
0.079
1.633
3.7
2.74
2.91
97.8
1
0.066
1.709
3.3
2.6
2.74
97.5
1
0.073
1.69
3.4
2.49
2.6
97.1
1
0.083
1.669
3.4
2.39
2.49
96.8
1
0.087
1.537
3.4
2.31
2.39
96.4
1
0.087
1.384
3.4
2.24
2.31
95.9
1
0.093
1.233
3.5
2.17
2.24
95.5
1
0.097
1.166
3.4
2.11
2.17
95.5
1
0.11
1.066
3.5
2.06
2.11
95
1
0.121
0.979
3.5
2.02
2.06
95
1
0.142
0.913
3.5
1.97
2.02
95.1
1
0.157
0.863
3.5
1.93
1.97
94.8
1
0.189
0.793
3.5
1.9
1.93
94
1
0.219
0.741
3.4
1.86
1.9
93
1
0.252
0.698
3.1
1.83
1.86
92.2
1
0.294
0.639
3
1.8
1.83
91.6
1
0.321
0.633
2.9
1.77
1.8
90.8
1
0.375
0.596
2.8
1.75
1.77
90.6
1
0.41
0.569
2.7
1.72
1.75
89.9
1
0.475
0.546
2.6
1.7
1.72
89.5
1
0.525
0.548
2.5
1.68
1.7
89.4
1
0.602
0.54
2.4
1.66
1.68
88.8
1
0.693
0.549
2.3
1.64
1.66
87.2
1
0.62
0.589
1.8
1.62
1.64
86.6
1
0.72
0.583
1.8
1.6
1.62
86.1
1
0.805
0.573
1.8
Reflection
Resolution: 1.68→40 Å / Num. obs: 155565 / % possible obs: 93.9 % / Redundancy: 6.1 % / Rmerge(I) obs: 0.074 / Χ2: 1.13 / Net I/σ(I): 10.5
Reflection shell
Resolution: 1.68→1.7 Å / Redundancy: 4.1 % / Rmerge(I) obs: 0.551 / Mean I/σ(I) obs: 2.13 / Num. unique all: 5035 / Χ2: 0.573 / % possible all: 96.7