X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 293 100 mM Bis-Tris-HCl pH 6.5, 100 mM Ammonium phosphate dibasic, 20 % (w/v) PEG 3,350 and 5 % (v/v/) 2-Propanol.
Unit Cell:
a: 69.550 Å b: 82.700 Å c: 113.300 Å α: 108.174° β: 97.610° γ: 103.236°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 2.36 Solvent Content: 47.87
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 1.9 46.38 161103 1809 89.75 0.1738 0.2049 42.95
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
1.9 46.38 99.5 ? ? 6.3 3.8 ? 161119 ? ? 22.79
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 1.9 1.93 ? ? ? ? ? ?
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 ALS BEAMLINE 8.2.1 1.00000 ALS 8.2.1
Software
Software Name Purpose Version
PHENIX refinement 1.21.2_5419
xia2 data reduction .
xia2 data scaling .
PHASER phasing .
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