X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 298 potassium chloride, calcium chloride dihydrate, HEPES sodium pH 7.0, PEG 400
Unit Cell:
a: 55.778 Å b: 55.778 Å c: 110.523 Å α: 90.000° β: 90.000° γ: 120.000°
Symmetry:
Space Group: P 61 2 2
Crystal Properties:
Matthew's Coefficient: 3.14 Solvent Content: 60.80
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 1.65 29.29 12685 578 99.07 0.1780 0.2164 54.28
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
1.65 48.30 100 ? ? 10.6 20.2 ? 12801 ? ? 28.11
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 1.65 1.68 ? ? ? ? ? ?
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 183 K ?
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
SYNCHROTRON NSLS-II BEAMLINE 17-ID-2 0.97934 NSLS-II 17-ID-2
Software
Software Name Purpose Version
PHENIX refinement 1.21.1_5286
Coot model building .
PHASER phasing .
XDS data scaling .
autoPROC data reduction .
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