X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.4 293 28-32% (w/v) polyethylene glycol 3350, 50mM potassium phosphate (pH 7.5), VAPOR DIFFUSION, SITTING DROP, temperature 293K
Unit Cell:
a: 176.657 Å b: 37.137 Å c: 90.195 Å α: 90.00° β: 104.38° γ: 90.00°
Symmetry:
Space Group: C 1 2 1
Crystal Properties:
Matthew's Coefficient: 2.15 Solvent Content: 42.86
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 THROUGHOUT 2.60 35.50 17658 1743 98.2 0.251 0.261 62.6
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
2.6 99 ? ? ? ? ? ? 17658 ? ? 48.2
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 2.60 2.64 99 ? ? ? ? ?
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 ? K
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
SYNCHROTRON SSRF BEAMLINE BL17U 1.04 SSRF BL17U
Software
Software Name Purpose Version
CNS refinement 1.3
MAR345dtb data collection .
HKL-2000 data reduction .
HKL-2000 data scaling .
CNS phasing .
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