X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 293.15 0.2 M Magnesium chloride hexahydrate, 0.1 M MES, 20% PEG 6000 pH 6
Unit Cell:
a: 109.499 Å b: 109.499 Å c: 141.092 Å α: 90.000° β: 90.000° γ: 90.000°
Symmetry:
Space Group: I 41 2 2
Crystal Properties:
Matthew's Coefficient: 2.29 Solvent Content: 46.22
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 FREE R-VALUE 1.310 43.305 101696 5097 99.381 ? 0.1644 23.816
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
1.31 43.305 99.44 0.033 ? 14.8 4.4 ? 101696 ? ? ?
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 1.31 1.33 ? ? ? ? ? ?
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 ID23-1 0.9724 ESRF ID23-1
Software
Software Name Purpose Version
REFMAC refinement 5.8.0267
XDS data reduction .
Aimless data scaling .
MoRDa phasing .
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