X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.00 298 15% ETHANOL, 100MM TRIS, 3MM CAMP, PH 7.00, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 298K, VAPOR DIFFUSION, HANGING DROP
Unit Cell:
a: 45.590 Å b: 102.810 Å c: 54.240 Å α: 90.00° β: 110.81° γ: 90.00°
Symmetry:
Space Group: P 1 21 1
Crystal Properties:
Matthew's Coefficient: 2.51 Solvent Content: 50.96
Refinement Statistics
Diffraction ID Structure Solution Method Cross Validation Method Resolution Limit (High) Resolution Limit (Low) Number of Reflections (Observed) Number of Reflections (R-free) Percent Reflections (Observed) R-Work R-Free Mean Isotropic
X-RAY DIFFRACTION MOLECULAR REPLACEMENT THROUGHOUT 2.61 24.61 12065 581 84.7 0.213 0.258 44.7
Data Collection
Overall
Resolution Limit (High) Resolution Limit (Low) Percent Possible (Observed) R Merge I (Observed) R Sym I (Observed) Net I Over Average Sigma (I) Redundancy Number Reflections (All) Number Reflections (Observed) Observed Criterion Sigma (F) Observed Criterion Sigma (I) B (Isotropic) From Wilson Plot
2.600 40.000 88.3 0.08400 0.08400 16.4000 4.500 12623 12623 0.0 -3.000 34.3
Highest Resolution Shell
# Resolution Limits (Low) Resolution Limits (High) Percent Possible (All) Percent Possible (Observed) R-Sym I (Observed) Mean I Over Sigma (Observed) Redundancy Number Unique Reflections (All)
1 2.60 2.69 88.3 ? 0.36100 4.000 4.00 ?
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 85.0 K
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
ROTATING ANODE MACSCIENCE 1.5418 ? ?
Software
Software Name Purpose Version
xpress data collection .
CNS refinement .
HKL-2000 data reduction .
HKL-2000 data scaling .
CNS phasing .
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