X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.4 ? 2% PEG8000, 0.5 M LI2SO4, pH 7.4
Unit Cell:
a: 50.750 Å b: 51.520 Å c: 67.830 Å α: 100.32° β: 93.17° γ: 116.56°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 2.27 Solvent Content: 45.8
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 ? 1.40 18.592 109799 5490 93.31 0.1400 0.1623 12.123
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
1.40 18.79 99.3 0.03 ? 18.86 1.8 ? 109811 ? 0.0 ?
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 1.40 1.60 86.1 ? 4.83 1.7
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 SOLEIL BEAMLINE PROXIMA 1 ? SOLEIL PROXIMA 1
Software
Software Name Purpose Version
PHENIX refinement (PHENIX.REFINE: 1.8_1069)
XDS data reduction .
XSCALE data scaling .
PHASER phasing .
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