X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 6.5 300 Polyethylene Glycol, Citrate Buffer, DMSO, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 300K
Unit Cell:
a: 66.700 Å b: 38.660 Å c: 92.950 Å α: 90.00° β: 91.80° γ: 90.00°
Symmetry:
Space Group: P 1 21 1
Crystal Properties:
Matthew's Coefficient: 2.02 Solvent Content: 38.98
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 ? 1.60 38.687 61227 3099 96.09 0.1658 0.2057 ?
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
1.6 100 98.8 ? 0.039 19.4 4.7 63751 62980 -999 -3 25
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 1.6 1.64 89.9 ? 0.506 2.04 2.75 ?
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 130 K
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
SYNCHROTRON NSLS BEAMLINE X25 1.1 NSLS X25
Software
Software Name Purpose Version
CBASS data collection .
PHENIX model building .
PHENIX refinement 1.8.1_1168
XDS data reduction .
XDS data scaling .
PHENIX phasing .
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