X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 8.5 293.15 10% w/v PEG 4000, 20% v/v glycerol, 0.03M halogens,0.1M bicine/Trizma base pH8.5
Unit Cell:
a: 132.998 Å b: 132.998 Å c: 181.650 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: P 4 21 2
Crystal Properties:
Matthew's Coefficient: 3.03 Solvent Content: 59.47
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 2.05 25.47 97110 5013 99.79 0.19481 0.22386 18.777
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
2.05 25.47 99.76 0.1742 ? 8.78 9.4 ? 102234 ? ? 12.69
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 2.05 2.123 99.99 ? ? 3.47 6.0 ?
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
ROTATING ANODE RIGAKU MICROMAX-007 HF 1.54 ? ?
Software
Software Name Purpose Version
REFMAC refinement 5.8.0403
PDB_EXTRACT data extraction .
CrysalisPro data reduction .
Aimless data scaling .
MOLREP phasing .
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