X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 6.5 298 0.1 M MES pH 6.5, 0.01 M ZnSO4 and 25% PEG MME 550
Unit Cell:
a: 63.230 Å b: 82.180 Å c: 93.180 Å α: 66.740° β: 89.260° γ: 89.340°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 2.71 Solvent Content: 54.69
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 2.1500 48.3060 91198 4763 97.3000 0.1982 0.2395 57.7260
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
2.150 48.310 97.300 0.107 ? 7.100 3.600 ? 91233 ? ? ?
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 2.150 2.210 97.300 ? ? ? 3.700 ?
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 0.9795 Diamond I04
Software
Software Name Purpose Version
PHENIX refinement 1.16_3549
XDS data reduction .
Aimless data scaling 0.7.4
PDB_EXTRACT data extraction 3.27
PHASER phasing .
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