X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 277 24.0% polyethylene glycol 3350, 0.11M potassium chloride
Unit Cell:
a: 63.021 Å b: 71.754 Å c: 73.106 Å α: 90.000° β: 106.980° γ: 90.000°
Symmetry:
Space Group: P 1 21 1
Crystal Properties:
Matthew's Coefficient: 2.35 Solvent Content: 47.58
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 SAD THROUGHOUT 1.5900 28.599 81838 4082 97.6500 0.1526 0.1752 28.6366
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
1.59 28.599 97.500 0.043 ? 14.680 3.200 ? 81860 ? -3.000 21.531
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 1.590 1.650 96.400 ? ? 2.0 ? ?
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 SSRL BEAMLINE BL14-1 .979230 SSRL BL14-1
Software
Software Name Purpose Version
PDB_EXTRACT data extraction 3.10
SHELX phasing .
SHARP phasing .
XSCALE data scaling November 3, 2014 BUILT=20141118
REFMAC refinement 5.8.0103
SHELXD phasing .
XDS data reduction .
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