X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.50 ? 1.2M NAK TARTRATE, 0.1M HEPES 7.5, pH 7.50
Unit Cell:
a: 145.309 Å b: 145.309 Å c: 145.309 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: I 2 3
Crystal Properties:
Matthew's Coefficient: 3.4 Solvent Content: 64
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 3.10 25.00 8636 467 96.7 0.202 0.249 52.91
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
3.100 50.000 96.7 0.07000 ? 22.5000 6.400 ? 9135 ? -3.000 ?
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 3.10 3.34 83.8 ? 3.000 3.20
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 100.0 K
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
SYNCHROTRON APS BEAMLINE 24-ID-C ? APS 24-ID-C
Software
Software Name Purpose Version
REFMAC refinement 5.2.0019
HKL-2000 data reduction .
SCALEPACK data scaling .
PHASER phasing .
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