X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 8.5 293 Morpheus E12: 0.1 M Buffer System 3 pH 8.5 (Tris and BICINE) 37.5% Precipitant Mix 4 (25% v/v MPD; 25% PEG 1000; 25% w/v PEG 3350) and 0.12 M Ethylene glycols (0.3 M Diethylene glycol; 0.3 M Triethylene glycol; 0.3M Tetraethylene glycol; 0.3 M Pentaethylene glycol)
Unit Cell:
a: 136.482 Å b: 136.482 Å c: 273.354 Å α: 90.00° β: 90.00° γ: 120.00°
Symmetry:
Space Group: P 61 2 2
Crystal Properties:
Matthew's Coefficient: 2.96 Solvent Content: 58.41
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 2.201 89.403 76143 3848 99.32 0.1801 0.2145 ?
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
2.201 118.197 100 ? ? 14.5 40.5 ? 76665 ? ? ?
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 2.201 2.239 100 ? ? 0.7 41.3 ?
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 I03 0.97625 Diamond I03
Software
Software Name Purpose Version
PHENIX refinement (1.15rc1_3423: ???)
autoPROC data scaling .
autoPROC data reduction .
PHASER phasing .
PDB_EXTRACT data extraction .
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