X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 4.7 295 HEWL CO-CRYSTALLIZED WITH 150 MM EXCESS N-ACETYLGLUCOSAMINE IN 1 ML 0.05 M SODIUM ACETATE AND 1 ML 10% SODIUM CHLORIDE, PH 4.7, BATCH, TEMPERATURE 295K
Unit Cell:
a: 78.392 Å b: 78.392 Å c: 36.578 Å α: 90° β: 90° γ: 90°
Symmetry:
Space Group: P 43 21 2
Crystal Properties:
Matthew's Coefficient: 1.96 Solvent Content: 37.25
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 2.000 19.606 7437 753 91.431 ? 0.2595 21.853
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
2.00 19.606 91.5 ? 0.243 8.15 12.46 ? 7468 ? ? 23.8
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 2.000 2.071 91.5 ? 1.96 1.14 12.76 ?
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
ROTATING ANODE Cu FINE FOCUS 1.54184 ? ?
Software
Software Name Purpose Version
REFMAC refinement 5.8.0431 (refmacat 0.4.123)
PDB-REDO refinement 8.22
EVAL15 data scaling .
PHASER phasing .
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