X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.5 289 0.2 M lithium sulfate, 0.1 M Tris-HCl, pH 7.5, and 24% (w/v) polyethylene glycol 3350
Unit Cell:
a: 37.662 Å b: 44.534 Å c: 45.714 Å α: 93.24° β: 110.14° γ: 114.86°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 1.76 Solvent Content: 30.06
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 1.575 41.70 30502 1694 94.71 0.15655 0.19553 14.732
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
1.57 50.00 95.6 0.075 ? 8.5 3.5 ? 32585 ? ? ?
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 1.57 1.63 88.7 ? ? ? 3.3 ?
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 NFPSS BEAMLINE BL18U 0.9785 NFPSS BL18U
Software
Software Name Purpose Version
REFMAC refinement 5.8.0425
HKL-3000 data scaling .
HKL-3000 data reduction .
PHASER phasing .
PDB_EXTRACT data extraction .
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