X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.5 293 Morpheus (2-28, G4) 0.1 M Carboxylic acids, 0.1 M Buffer System 1 pH 6.5, 37.5 % v/v Precipitant Mix 4
Unit Cell:
a: 73.416 Å b: 95.754 Å c: 114.110 Å α: 77.48° β: 71.30° γ: 81.89°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 2.46 Solvent Content: 50.05
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 2.035 69.332 176574 8703 96.14 0.1977 0.2379 44.19
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
2.035 106.26 97.8 0.166 ? 4.8 4.7 ? 179707 ? ? 22.666
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 2.035 2.07 89.6 ? ? ? 2.3 ?
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 DIAMOND BEAMLINE I04-1 0.9159 Diamond I04-1
Software
Software Name Purpose Version
PHENIX refinement (1.14_3260: ???)
PHASER phasing .
PDB_EXTRACT data extraction .
xia2 data reduction .
xia2.multiplex data scaling .
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