X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7 293.15 5% propanol, 0.1M imidazole and 14% PEG 3550.
Unit Cell:
a: 73.585 Å b: 89.435 Å c: 138.443 Å α: 102.818° β: 94.019° γ: 97.882°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 2.45 Solvent Content: 50
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 2.800 47.841 77725 3966 93.048 ? 0.2728 23.778
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
2.80 47.842 93 0.17 ? 4.0 1.8 ? 78398 ? ? 21.44
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 2.80 2.87 94 ? 0.37 2.0 1.8 ?
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 ID23-2 0.87313 ESRF ID23-2
Software
Software Name Purpose Version
REFMAC refinement 5.8.0430 (refmacat 0.4.100)
iMOSFLM data reduction .
Aimless data scaling .
PHASER phasing .
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