X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.0 293 0.1M HEPES PH 7.0 30% v/v Jeffamine ED-2001 Reagent PH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Unit Cell:
a: 65.146 Å b: 59.566 Å c: 99.630 Å α: 90.00° β: 99.57° γ: 90.00°
Symmetry:
Space Group: P 1 21 1
Crystal Properties:
Matthew's Coefficient: 2.46 Solvent Content: 50.08
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 2.31 50 29178 1566 92.00 0.17282 0.23089 25.694
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
2.3 50 100 0.118 0.083 14.8 6.1 33290 33290 ? ? 38.15
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 2.3 2.34 99.9 ? 0.622 2.6 5.7 ?
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 X29A 0.9790 NSLS X29A
Software
Software Name Purpose Version
HKL-2000 data collection .
SOLVE phasing .
REFMAC refinement 5.5.0109
HKL-2000 data reduction .
HKL-2000 data scaling .
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