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: 57.597 Å b: 46.034 Å c: 63.196 Å α: 90.000° β: 111.420° γ: 90.000°
Symmetry:
Space Group: P 1 21 1
Crystal Properties:
Matthew's Coefficient: 1.91 Solvent Content: 35.68
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 1.5900 53.6200 41377 2096 99.2800 0.1919 0.2322 33.8400
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
1.590 53.620 99.600 0.039 ? 11.800 3.100 ? 41521 ? ? 25.960
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 1.590 1.630 96.700 ? ? ? 2.400 ?
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 0.97950 Diamond I04
Software
Software Name Purpose Version
Aimless data scaling 0.5.26
BUSTER refinement 2.10.1
PDB_EXTRACT data extraction 3.23
XDS data reduction .
PHASER phasing .
XDS data scaling .
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