X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 277 20% polyethylene glycol 3350, 0.2M tri-sodium citrate
Unit Cell:
a: 69.108 Å b: 69.108 Å c: 87.802 Å α: 90.000° β: 90.000° γ: 120.000°
Symmetry:
Space Group: P 61
Crystal Properties:
Matthew's Coefficient: 3.26 Solvent Content: 62.25
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 1.9000 49.453 18713 960 99.7100 0.1663 0.1891 39.6601
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
1.90 49.453 99.700 0.065 ? 15.170 6.253 ? 18773 ? -3.000 32.520
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 1.900 1.970 98.100 ? ? 1.7 ? ?
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 SSRL BEAMLINE BL11-1 0.97923 SSRL BL11-1
Software
Software Name Purpose Version
PDB_EXTRACT data extraction 3.10
XDS data scaling November 3, 2014 BUILT=20141118
XSCALE data scaling .
SHELX phasing .
SHARP phasing .
SHELXD phasing .
BUSTER refinement 2.10.2
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