X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.4 277.15 H1/PR8: 10 mg/ml, 0.2 M calcium acetate, 1 M HEPES, pH 7.4 , 40% (v/v) polyethylene glycol 400.
Unit Cell:
a: 189.799 Å b: 108.825 Å c: 118.240 Å α: 90.000° β: 122.374° γ: 90.000°
Symmetry:
Space Group: C 1 2 1
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 2.02 47.98 130668 6584 98.79 0.2166 0.2480 50.91
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 47.98 99 ? ? 15.4 3.1 ? 131036 ? ? 38.53
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 2.07 ? ? ? ? ? ?
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 APS BEAMLINE 21-ID-D 1.0332 APS 21-ID-D
Software
Software Name Purpose Version
PHENIX refinement 1.17.1_3660
PHENIX refinement 1.17.1_3660
HKL-2000 data reduction .
HKL-2000 data scaling .
PHASER phasing .
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