X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 293 Condition E1 from Morpheus crystal screening: - 0.12M Ethylene glycols - 0.1M Buffer System 1 pH 6.5 - 30% Precipitant mix 1
Unit Cell:
a: 91.062 Å b: 44.845 Å c: 69.530 Å α: 90.000° β: 126.419° γ: 90.000°
Symmetry:
Space Group: C 1 2 1
Crystal Properties:
Matthew's Coefficient: 2.60 Solvent Content: 52.66
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 1.83 38.25 19225 977 94.98 0.1811 0.2007 31.69
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
1.826 38.25 95.1 0.073 ? 15.1 6.6 ? 19241 ? ? 23.55
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 1.826 1.858 99.9 ? ? ? 5.7 ?
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 ALBA BEAMLINE XALOC 0.9792 ALBA XALOC
Software
Software Name Purpose Version
PHENIX refinement 1.21.1_5286
PHENIX refinement 1.20-4459
Aimless data scaling .
PHASER phasing .
autoPROC data processing .
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