X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 5.5 293 36% v/v PEG 300, 5% w/v PEG 1,000 100 mM Sodium Acetate pH 5.5
Unit Cell:
a: 74.563 Å b: 93.324 Å c: 37.456 Å α: 90.000° β: 90.000° γ: 90.000°
Symmetry:
Space Group: C 2 2 21
Crystal Properties:
Matthew's Coefficient: 2.46 Solvent Content: 49.96
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 THROUGHOUT 1.5800 29.2100 17699 911 96.4400 0.1960 0.2155 30.9256
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
1.58 29.21 96.42 ? ? 11.38 2 ? 17717 ? ? 20.890
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 1.58 1.636 95.65 ? ? 1.09 2.0 ?
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 ELETTRA BEAMLINE 5.2R 1.0 ELETTRA 5.2R
Software
Software Name Purpose Version
PHENIX refinement 1.13_2998
XDS data reduction .
Aimless data scaling .
PHASER phasing 2.8.1
PDB_EXTRACT data extraction 3.24
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