X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.5 293 100mM HEPES, 10% Isopropanol, 10mM DTT, 20% PEG 4k, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Unit Cell:
a: 49.340 Å b: 89.941 Å c: 156.756 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: P 21 21 21
Crystal Properties:
Matthew's Coefficient: 2.16 Solvent Content: 43.1
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 2.90 29.61 27042 2592 90.7 0.221 0.292 30.6
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
2.9 29.61 98.6 0.088 0.078 12.21 3.4 29806 29389 2.0 2.0 54.3
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 2.90 3.00 97.0 ? 0.281 4.52 3.2 2818
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 BEAMLINE X4A 0.97904 NSLS X4A
Software
Software Name Purpose Version
DENZO data reduction .
SCALEPACK data scaling .
SnB phasing then SOLVE/RESOLVE
CNS refinement .
SOLVE phasing .
RESOLVE phasing .
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