X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 289.15 0.7 M Ammonium tartrate dibasic, 0.1 M Tris pH8.5
Unit Cell:
a: 194.263 Å b: 194.263 Å c: 116.778 Å α: 90.000° β: 90.000° γ: 120.000°
Symmetry:
Space Group: P 32
Crystal Properties:
Matthew's Coefficient: 2.70 Solvent Content: 54.44
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 FREE R-VALUE 2.8800696516 13.14160288 110102 5481 99.7490464672 0.205755538349 0.257042156014 44.154292724
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
2.88 13.14160288 98.9 ? ? 8.7 4.1 ? 110376 ? ? 39.9723988072
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 2.88 2.98 ? ? ? ? ? ?
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
ROTATING ANODE Cu FINE FOCUS 1.5406 ? ?
Software
Software Name Purpose Version
PHASER phasing 1.11.1_2575
PHENIX refinement 1.11.1_2575
CrysalisPro data reduction .
Aimless data scaling .
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