X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 277.0 20-25% PEG 2000 monomethyl ether, 100 mM Hepes pH 7.2-8.4 0-200 mM NaCl, VAPOR DIFFUSION, HANGING DROP, temperature 277.0K
Unit Cell:
a: 58.123 Å b: 87.495 Å c: 117.662 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: P 21 21 21
Crystal Properties:
Matthew's Coefficient: 2.2 Solvent Content: 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 ? ? 2.0 25.0 39471 3946 95.6 0.2200000 0.2440000 42.45
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
2.0 25.0 95.9 0.0550000 ? 17.7 3.7 41269 40020 1 2 35.92
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 2.00 2.03 98.6 ? ? ? 2.4 1998
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 100.0 K
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
SYNCHROTRON ALS BEAMLINE 5.0.2 ? ALS 5.0.2
Software
Software Name Purpose Version
SOLVE phasing .
CNS refinement .
DENZO data reduction .
SCALEPACK data scaling .
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