X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 4.9 293 100 mM sodium acetate, pH 4.9, 55% MPD, 20 mM CaCl2
Unit Cell:
a: 75.230 Å b: 81.460 Å c: 160.190 Å α: 95.610° β: 100.450° γ: 108.270°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 2.51 Solvent Content: 51.04
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 1.8900 73.4600 263707 13239 94.0200 0.1774 0.2086 50.4955
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
1.890 76.290 94.100 ? ? 7.100 1.900 ? 263888 ? ? 39.070
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 1.890 1.920 93.800 ? ? 0.700 1.900 ?
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 24-ID-E 0.9792 APS 24-ID-E
Software
Software Name Purpose Version
XDS data reduction .
xia2 data scaling 3.9.0
PHASER phasing .
PHENIX refinement 1.20.1_4487
PDB_EXTRACT data extraction 3.27
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