X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 298 Morpheus E9: 30 % Precipitant mix 1 (40% v/v PEG 500* MME; 20 % w/v PEG 20000) 0.1 M Buffer system 3 pH 8.5 (Tris (base); BICINE) 0.12 M Ethylene glycols (0.3M Diethylene glycol; 0.3M Triethylene glycol; 0.3M Tetraethylene glycol; 0.3M Pentaethylene glycol) 20 mg/ml Amuc1074 with 100 mM N-acetyl D-glucosamine
Unit Cell:
a: 130.01 Å b: 130.01 Å c: 86.27 Å α: 90° β: 90° γ: 90°
Symmetry:
Space Group: I 41
Crystal Properties:
Matthew's Coefficient: 3.04 Solvent Content: 59.54
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 1.380 41.147 146929 7209 99.963 ? 0.1841 23.564
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
1.38 71.88 100 ? ? 10.7 6.5 ? 146947 ? ? ?
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 1.38 1.40 ? ? ? ? ? ?
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 1.0 Diamond I04
Software
Software Name Purpose Version
REFMAC refinement 5.8.0430 (refmacat 0.4.105)
xia2 data reduction .
Aimless data scaling .
PHASER phasing .
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