X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.5 293 0.085M HEPES pH 7.5, 15% glycerol, 1.7% polyethylene glycol 400, 1.7M ammonium sulfate
Unit Cell:
a: 83.381 Å b: 83.381 Å c: 221.829 Å α: 90.000° β: 90.000° γ: 120.000°
Symmetry:
Space Group: P 65 2 2
Crystal Properties:
Matthew's Coefficient: 3.22 Solvent Content: 61.75
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 MAD THROUGHOUT 2.6500 29.018 13863 690 98.8900 0.1930 0.2194 69.9986
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
2.65 29.018 99.200 ? 0.149 14.600 14.100 13863 13863 ? ? ?
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 2.650 2.720 99.000 ? 1.310 0.6 14.500 995
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 0.95369,0.9793,0.9791 SSRL BL14-1
Software
Software Name Purpose Version
PDB_EXTRACT data extraction 3.10
MOSFLM data reduction .
SCALA data scaling 3.3.20
SHARP phasing .
SHELX phasing .
BUSTER refinement 2.10.2
SHELXD phasing .
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