X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 293 10% (w/v) PEG 8000, 20% ethylene glycol, 0.02 M each carboxylic acid (sodium formate, ammonium acetate, trisodium citrate, sodium potassium L-tartrate, and sodium oxamate), 0.1 M MES/imidazole, pH 6.5
Unit Cell:
a: 95.427 Å b: 104.103 Å c: 125.712 Å α: 86.81° β: 86.44° γ: 84.2°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 2.84 Solvent Content: 56.63
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 2.807 49.69 112035 5520 95.5 0.2474 0.2677 59.29
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
2.81 49.69 95.8 ? ? 4.3 1.8 ? 112441 ? ? ?
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 2.81 2.85 ? ? ? ? ? ?
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 AUSTRALIAN SYNCHROTRON BEAMLINE MX2 0.95373 Australian Synchrotron MX2
Software
Software Name Purpose Version
BUSTER refinement 2.10.4
XDS data reduction .
Aimless data scaling .
PHASER phasing .
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