X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 6.5 298 112.5mM Mes pH 6.5, 35% glycerol ethoxylate, 180 mM ammonium acetate
Unit Cell:
a: 58.110 Å b: 46.220 Å c: 63.600 Å α: 90.000° β: 112.210° γ: 90.000°
Symmetry:
Space Group: P 1 21 1
Crystal Properties:
Matthew's Coefficient: 1.94 Solvent Content: 36.56
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 1.4800 53.8000 51572 2680 98.5900 0.1706 0.1922 27.3000
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
1.480 53.800 98.800 0.062 ? 10.300 3.200 ? 51587 ? ? 21.540
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 1.480 1.520 98.600 ? ? ? 3.100 3778
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 0.97628 Diamond I03
Software
Software Name Purpose Version
BUSTER refinement 2.10.1
Aimless data scaling 0.5.26
PDB_EXTRACT data extraction 3.23
XDS data reduction .
PHASER phasing .
XDS data scaling .
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