X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 5.5 289.15 0.2M Zinc Acetate Dehydrate, 0.1M Sodium Cacodylate Trihydrate, 15% PEG 8000
Unit Cell:
a: 83.264 Å b: 102.996 Å c: 225.499 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: I 21 21 21
Crystal Properties:
Matthew's Coefficient: 3.13 Solvent Content: 60.73
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 2.56 93.69 28734 1416 90.72 0.2331 0.2753 ?
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
2.56 93.69 90.72 0.0671 ? 9.39 1.9 ? 28734 ? ? 21.78
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 2.56 2.65 85.56 ? ? 3.65 ? ?
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 ESRF BEAMLINE ID30B 0.8371 ESRF ID30B
Software
Software Name Purpose Version
PHENIX refinement v1.21
Aimless data scaling .
PDB_EXTRACT data extraction .
TRUNCATE data reduction .
PHASER phasing .
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