X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 298 1.8 M sodium phosphate monobasic monohydrate; potassium phosphate dibasic, pH 5.0
Unit Cell:
a: 100.342 Å b: 100.342 Å c: 100.342 Å α: 90.000° β: 90.000° γ: 90.000°
Symmetry:
Space Group: I 2 3
Crystal Properties:
Matthew's Coefficient: 4.01 Solvent Content: 69.33
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 2.80 20.48 4029 409 94.87 0.2192 0.2419 59.72
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
2.80 20.48 99.7 ? ? 32.4 25.8 ? 4253 ? ? 51.66
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 2.80 2.95 100.0 ? ? 3.9 26.4 ?
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
SEALED TUBE RIGAKU PhotonJet-S 1.54184 ? ?
Software
Software Name Purpose Version
PHENIX refinement 1.20.1_4487
CrysalisPro data reduction .
Aimless data scaling .
PHASER phasing .
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