X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 289 100mM Hepes pH 7.0, 0.2mM (NH4)2SO4, 25% PEG 3350
Unit Cell:
a: 216.816 Å b: 216.816 Å c: 216.816 Å α: 90.000° β: 90.000° γ: 90.000°
Symmetry:
Space Group: I 41 3 2
Crystal Properties:
Matthew's Coefficient: 2.79 Solvent Content: 55.87
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 2.2000 48.4820 44071 2221 99.9700 0.1670 0.1865 46.5000
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
2.200 50.000 100.000 0.076 ? 5.500 9.800 ? 44172 ? ? 40.740
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 2.200 2.240 100.000 ? ? ? 9.700 ?
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 SSRF BEAMLINE BL17U 0.9793 SSRF BL17U
Software
Software Name Purpose Version
HKL-2000 data scaling .
PHASER phasing 2.3.0
PHENIX refinement 1.8.1_1168
PDB_EXTRACT data extraction 3.24
HKL-2000 data reduction .
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