X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 291 1.26M ammonium sulfate, 0.1M HEPES (pH 7.5)
Unit Cell:
a: 34.463 Å b: 43.941 Å c: 84.151 Å α: 89.97° β: 90.02° γ: 87.80°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 2.23 Solvent Content: 44.82
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 1.64 28.05 54856 2888 94.83 0.17394 0.22517 11.776
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
1.63 28.05 95.2 0.143 ? 10.9 3.5 ? 57576 ? ? ?
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 1.63 1.699 ? ? ? 3.1 ? ?
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 PAL/PLS BEAMLINE 7A (6B, 6C1) 0.97934 PAL/PLS 7A (6B, 6C1)
Software
Software Name Purpose Version
REFMAC refinement 5.8.0411
Aimless data scaling .
XDS data reduction .
MOLREP phasing .
PDB_EXTRACT data extraction .
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