X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 9.0 293 10% PEG200, 0.1 M BIS-TRIS propane at pH 9.0, 18% w/v polyethylene glycol 8,000
Unit Cell:
a: 39.765 Å b: 44.745 Å c: 61.934 Å α: 105.20° β: 103.11° γ: 102.19°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 2.47 Solvent Content: 50.28
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 1.90 41.35 29654 1462 97.58 0.2055 0.2454 ?
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
1.9 41.35 97.7 0.04 ? 11.5 3.6 ? 29683 ? ? 44.21
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 1.9 1.95 96 ? ? 1.0 3.7 ?
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 0.97856 SOLEIL PROXIMA 1
Software
Software Name Purpose Version
PHENIX refinement (1.21.2_5419: ???)
XDS data reduction .
Aimless data scaling .
PHASER phasing .
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