X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.5 293 50 mM HEPES 7.5, 200 mM NH4Cl, 34% PEG 2000 and 1 mM CaCl2
Unit Cell:
a: 62.337 Å b: 41.713 Å c: 65.273 Å α: 90.000° β: 95.440° γ: 90.000°
Symmetry:
Space Group: C 1 2 1
Crystal Properties:
Matthew's Coefficient: 2.34 Solvent Content: 47.5
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 2.18 64.98 6509 631 69.38 0.2255 0.2601 36.49
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
2.18 64.98 73.49 ? ? 17.4 11.2 ? 6543 ? ? 35.37
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 2.18 2.259 13.15 ? ? 0.77 2.6 ?
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 2 1.53067 SOLEIL PROXIMA 2
Software
Software Name Purpose Version
PHENIX refinement 1.20.1_4487
autoPROC data reduction 1.0.5
autoPROC data scaling 1.0.5
PHASER phasing 2.8.3
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