X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 294 4.95% isopropanol, 8.25% PEG 3350, 0.2M ammonium citrate, pH 4.5
Unit Cell:
a: 131.160 Å b: 131.160 Å c: 315.240 Å α: 90.00° β: 90.00° γ: 120.00°
Symmetry:
Space Group: P 63
Crystal Properties:
Matthew's Coefficient: 4.66 Solvent Content: 73.61
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 2.907 41.423 33547 2128 49.92 0.3296 0.3391 ?
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
2.907 41.423 51.3 ? ? 3.82 3.1 ? 33547 ? ? ?
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 2.9 3.0 ? ? ? ? ? ?
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 APS BEAMLINE 22-ID 1.000 APS 22-ID
Software
Software Name Purpose Version
PHENIX refinement 1.11.1_2575
DENZO data reduction .
SCALEPACK data scaling .
PHASER phasing .
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