X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 293 19 %-22 % PEG 2000 MME, 0.1 M Tris, pH 8.0-9.0, 0.2 M trimethylamine N-oxide (TMAO)
Unit Cell:
a: 158.100 Å b: 158.100 Å c: 64.700 Å α: 90.000° β: 90.000° γ: 120.000°
Symmetry:
Space Group: P 3
Crystal Properties:
Matthew's Coefficient: 2.45 Solvent Content: 49.89
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 FREE R-VALUE 2.85 19.91 42152 2108 100.00 0.2183 0.2941 73.29
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
2.83 19.91 99.2 ? ? 12.77 10 ? 42465 ? ? 79.02
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 2.83 3.00 ? ? ? ? ? ?
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 APS BEAMLINE 23-ID-D 1.0332 APS 23-ID-D
Software
Software Name Purpose Version
PHENIX refinement 1.17.1_3660
Blu-Ice data collection .
XDS data reduction .
XDS data scaling .
PHENIX model building .
PHASER phasing .
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