X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 4.5 293 0.2 M sodium dihydrogen phosphate (pH 4.5) and 20% (w/v) polyethylene glycol (PEG) 3350
Unit Cell:
a: 88.190 Å b: 105.127 Å c: 405.183 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: P 21 2 21
Crystal Properties:
Matthew's Coefficient: 2.33 Solvent Content: 47.27
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 NONE 2.30 29.88 167046 2000 98.90 0.2291 0.2748 ?
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
2.3 30 99.9 ? ? 15.1 12 ? 168500 ? ? ?
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 2.30 2.34 ? ? ? ? ? ?
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 0.98 ALS 5.0.2
Software
Software Name Purpose Version
PHENIX refinement (1.21.2_5419: ???)
HKL-2000 data scaling .
HKL-2000 data reduction .
PHASER phasing .
PDB_EXTRACT data extraction .
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