X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.5 293.15 0.1 M BES-Triethanolamine 10% w/v PEG 8000, 20% v/v 1,5-Pentanediol 0.001M Rubidium chloride 0.001M Strontium acetate 0.001M Cesium acetate 0.001M Barium acetate
Unit Cell:
a: 84.177 Å b: 106.752 Å c: 137.292 Å α: 90.000° β: 104.407° γ: 90.000°
Symmetry:
Space Group: P 1 21 1
Crystal Properties:
Matthew's Coefficient: 2.5 Solvent Content: 50.87
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 2.80 46.20 58047 2947 99.89 0.2173 0.2439 74.41
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
2.8 46.20 99.9 0.113 ? 9.4 4.4 ? 58064 ? ? 69.35
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 2.80 2.90 100 ? ? 1.2 4.6 ?
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 NSLS-II BEAMLINE 17-ID-1 0.9199 NSLS-II 17-ID-1
Software
Software Name Purpose Version
PHENIX refinement 1.21.2_5419
XDS data reduction .
XSCALE data scaling .
PHASER phasing .
Coot model building .
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