X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 293 0.1 M HEPES pH 7.5, 0.2 Ammonium sulfate, 28% PEG 3350 (w/v)
Unit Cell:
a: 58.453 Å b: 47.371 Å c: 74.737 Å α: 90.00° β: 98.65° γ: 90.00°
Symmetry:
Space Group: P 1 21 1
Crystal Properties:
Matthew's Coefficient: 2.06 Solvent Content: 40.30
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 2.17 42.52 21331 2134 98.39 0.2363 0.2865 ?
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
2.17 47.37 98.9 0.258 ? 6.2 6.6 ? 21419 ? ? 21.72
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 2.17 2.24 ? 96.9 ? ? 6.3 ?
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 ALS BEAMLINE 5.0.2 0.97 ALS 5.0.2
Software
Software Name Purpose Version
PHENIX refinement 2.0_5885
Aimless data scaling 0.7.4
XDS data reduction .
PHASER phasing 2.8.3
PDB_EXTRACT data extraction .
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