X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 293 30 % PEG5000MME, 0.2 M ammonium sulfate, 0.1 M MES pH 6.5
Unit Cell:
a: 36.686 Å b: 39.763 Å c: 48.28 Å α: 92.53° β: 99.55° γ: 113.45°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 1.84 Solvent Content: 33.19
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 1.213 47.26 40307 1982 54.3 0.2042 0.2329 9.04
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
1.21 47.26 75.4 ? ? 4.7 1.8 ? 40307 ? ? ?
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 1.21 1.39 ? ? ? ? ? ?
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 DIAMOND BEAMLINE I04 0.95374 Diamond I04
Software
Software Name Purpose Version
BUSTER refinement 2.11.8
autoPROC data reduction .
autoPROC data scaling .
PHASER phasing .
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