X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 293 16% (w/v) PEG 20000, 0.1M 2-(N-morpholino)ethanesulfonic acid pH 6.0
Unit Cell:
a: 85.285 Å b: 85.285 Å c: 120.553 Å α: 90.00° β: 90.00° γ: 120.00°
Symmetry:
Space Group: P 31
Crystal Properties:
Matthew's Coefficient: 2.42 Solvent Content: 49.2
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 3.100 36.929 17819 888 99.98 0.1729 0.2511 ?
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
3.10 46.70 100.0 0.378 ? 3.2 10.5 ? 17852 ? ? ?
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 3.10 3.31 ? 100.0 ? ? 10.4 ?
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 PAL/PLS BEAMLINE 7A (6B, 6C1) 0.9793 PAL/PLS 7A (6B, 6C1)
Software
Software Name Purpose Version
MxDC data collection .
XDS data reduction .
Aimless data scaling 0.8.2
PHENIX phasing 1.9-1692
PHENIX model building 1.9-1692
PHENIX refinement 1.9-1692
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