X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 9.0 294 200 mM lithium chloride, 20 % (w/v) PEG 3350, 100 mM Bicine, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 294K
Unit Cell:
a: 60.414 Å b: 94.697 Å c: 141.030 Å α: 88.19° β: 89.63° γ: 89.87°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 2.64 Solvent Content: 53.40
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 2.85 20.01 62959 6399 92.4 0.239 0.289 70.1
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
2.85 30.0 92.4 ? 0.081 14.2 3.3 ? 62952 1.0 1.0 87.3
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
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 ALS BEAMLINE 8.2.1 1.0 ALS 8.2.1
Software
Software Name Purpose Version
HKL-2000 data collection .
AMoRE phasing .
CNS refinement 1.3
HKL-2000 data reduction .
HKL-2000 data scaling .
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