X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 293 Protein Buffer 20 mM CHES, 100 mM KCl, pH 8.6. Crystallisation condition 2.1M DL-Malic Acid, pH 7.0
Unit Cell:
a: 81.271 Å b: 81.271 Å c: 60.967 Å α: 90° β: 90° γ: 120°
Symmetry:
Space Group: H 3
Crystal Properties:
Matthew's Coefficient: 3.06 Solvent Content: 59.79
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 1.998 46.082 10158 503 99.735 ? 0.2286 45.760
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
1.997 46.082 100 ? ? 11.8 10.7 ? 10188 ? ? ?
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 1.997 2.032 100 ? ? ? 9.2 ?
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 0.9537 Diamond I04
Software
Software Name Purpose Version
REFMAC refinement 5.8.0430 (refmacat 0.4.105)
autoPROC data processing .
MOLREP phasing .
autoPROC data reduction .
autoPROC data scaling .
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