X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 293 22% PEG3350, 0.2 M NaCl, 0.1 M Tris-HCl pH 8.5
Unit Cell:
a: 35.648 Å b: 35.65 Å c: 100.919 Å α: 86.458° β: 84.218° γ: 72.475°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 2.26 Solvent Content: 45.52
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 1.800 100.350 42396 2063 97.020 ? 0.2428 24.851
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
1.80 100.35 97.0 0.078 ? 8.4 3.3 ? 42398 ? ? ?
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 9.00 100.35 98.2 ? ? 22.0 3.3 ?
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 ESRF BEAMLINE ID23-1 0.885603 ESRF ID23-1
Software
Software Name Purpose Version
REFMAC refinement 5.8.0430 (refmacat 0.4.100)
autoXDS data reduction .
Aimless data scaling .
PHASER phasing .
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