X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 291 10% w/v PEG 8000, 20% v/v ethylene glycol, 0.02 M (each d-glucose, d-mannose, M d-galactose, l-fucose, d-xylose, N-acetyl- d-glucosamine), 0.1 M bicine/Trizma base pH 8.5
Unit Cell:
a: 108.991 Å b: 142.003 Å c: 149.251 Å α: 90.000° β: 90.000° γ: 90.000°
Symmetry:
Space Group: P 21 21 21
Crystal Properties:
Matthew's Coefficient: 2.93 Solvent Content: 57.99
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 2.80 45.12 107322 5222 97.11 0.2185 0.2529 83.70
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
2.797 45.12 97.11 ? ? 6.32 4.8 ? 107633 ? ? 57.36
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 2.8 2.83 98.71 ? ? 1.3 ? ?
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 PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2) 0.97626 PETRA III, EMBL c/o DESY P14 (MX2)
Software
Software Name Purpose Version
PHENIX refinement 2.0_5936
XDS data reduction .
XDS data scaling .
PHENIX phasing .
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