X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 6.8 278 30% PEG8K, 0.1M Hepes (pH 6.8) and 0.2M magnesium acetate, VAPOR DIFFUSION, HANGING DROP, temperature 278K
Unit Cell:
a: 37.316 Å b: 40.034 Å c: 58.744 Å α: 90.00° β: 98.61° γ: 90.00°
Symmetry:
Space Group: P 1 21 1
Crystal Properties:
Matthew's Coefficient: 2.06 Solvent Content: 40.18
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 1.45 29.24 28569 1131 93.3 0.177 0.215 ?
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
1.450 29.240 97.6 0.05700 ? 18.4500 3.100 ? 29891 ? -3.000 17.84
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 1.45 1.50 ? ? ? 2.130 2.40 ?
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 100 K
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
SYNCHROTRON CHESS BEAMLINE F1 ? CHESS F1
Software
Software Name Purpose Version
HKL-2000 data collection .
AMoRE phasing .
CNS refinement 1.1
HKL-2000 data reduction .
HKL-2000 data scaling .
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