X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 289.15 Morpheus condition A8 consisted of 0.06 M divalents, 0.1 M Buffer System 2, pH 7.5, and 37.5% (v/v) Precipitant Mix 4. Morpheus condition D12 consisted of 0.12 M alcohols, 0.1 M Buffer System 3, pH 8.5, and 37.5% Precipitant Mix 4.
Unit Cell:
a: 54.216 Å b: 59.520 Å c: 101.654 Å α: 90.000° β: 102.038° γ: 90.000°
Symmetry:
Space Group: P 1 21 1
Crystal Properties:
Matthew's Coefficient: 2.21 Solvent Content: 44.40
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 1.94 51.07 32077 1592 67.58 0.1833 0.2279 49.72
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
1.94 51.45 67.6 ? ? 18.5 6.3 ? 32077 ? ? 36.93
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 1.94 2.00 ? ? ? 1.5 ? ?
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 CLSI BEAMLINE 08B1-1 1.18061 CLSI 08B1-1
Software
Software Name Purpose Version
PHENIX refinement 2.0_5885
autoPROC data reduction .
autoPROC data scaling .
PHENIX phasing .
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