X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 293 0.1M ammonium iodide, 0.1M sodium acetate (pH 6.0), 20% w/v PEG 3350
Unit Cell:
a: 47.159 Å b: 64.146 Å c: 68.823 Å α: 85.83° β: 81.44° γ: 87.70°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 2.22 Solvent Content: 44.63
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 1.83 46.61 68328 3317 97.57 0.1985 0.2219 ?
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
1.83 50.0 96.1 ? 0.076 9.2 2.8 ? 134703 ? ? ?
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 1.83 1.94 94.9 ? 0.928 1.2 ? ?
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 SPRING-8 BEAMLINE BL32XU 1.0 SPring-8 BL32XU
Software
Software Name Purpose Version
PHENIX refinement 1.20.1_4487
XDS data scaling .
XDS data reduction .
PHASER phasing .
PDB_EXTRACT data extraction .
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