X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.00 298 10% ETHANOL, 100MM PHOSPHATE, PH 6.8, 3MM CAMP, 5% GLYCEROL, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 298K, VAPOR DIFFUSION, HANGING DROP
Unit Cell:
a: 45.570 Å b: 101.280 Å c: 54.120 Å α: 90.00° β: 111.12° 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 2.70 35.75 11225 544 88.8 0.20542 0.273 48.8
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
2.700 40.000 92.4 0.09900 0.09900 10.4000 3.200 11687 11687 0.0 -3.000 37.4
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 2.70 2.80 94.6 ? 0.34600 3.500 3.20 ?
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 .
AMoRE phasing .
CNS refinement 1.1
HKL-2000 data reduction .
HKL-2000 data scaling .
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