X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 8.5 293 25% PEG MME 2000, 0.2 M trimehylamino-N-oxide, 0.1 M Tris. Microseeding.
Unit Cell:
a: 54.587 Å b: 54.587 Å c: 63.217 Å α: 90.00° β: 90.00° γ: 120.00°
Symmetry:
Space Group: P 64
Crystal Properties:
Matthew's Coefficient: 2.70 Solvent Content: 54.47
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 1.49 47.27 15948 831 95.38 0.19110 0.21875 49.423
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
1.488 47.27 95.5 ? ? 15.01 6.2 ? 16797 ? ? ?
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 1.488 1.496 82.9 ? ? 0.33 2.2 ?
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 ESRF BEAMLINE BM14 0.953723 ESRF BM14
Software
Software Name Purpose Version
REFMAC refinement 5.8.0151
XDS data reduction .
Aimless data scaling .
PHASER phasing .
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