X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 291.15 100mM Tris base HCl pH 8.5, 500mM Sodium chloride, 8% PEG 8000, 30% MPD
Unit Cell:
a: 58.990 Å b: 78.040 Å c: 90.620 Å α: 86.22° β: 89.57° γ: 84.28°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 2.67 Solvent Content: 53.94
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 2.58 49.21 45263 2385 94.27 0.27149 0.30957 24.296
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
2.58 49.21 94.5 ? ? 7.8 3.4 ? 47760 ? ? ?
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 2.58 2.67 ? ? ? ? ? ?
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 SSRF BEAMLINE BL18U1 0.987 SSRF BL18U1
Software
Software Name Purpose Version
REFMAC refinement 5.8.0267
PDB_EXTRACT data extraction .
XDS data reduction .
Aimless data scaling .
PHASER phasing .
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