X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 4.6 288 22.5%(w/v) polyethylene glycol 4000, 0.135M ammonium acetate, and 0.1M sodium acetate trihydrate (pH 4.6)
Unit Cell:
a: 41.040 Å b: 65.866 Å c: 73.536 Å α: 90.00° β: 91.35° γ: 90.00°
Symmetry:
Space Group: P 1 21 1
Crystal Properties:
Matthew's Coefficient: 2.01 Solvent Content: 38.67
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 1.763 41.029 36199 1837 93.45 0.1898 0.2341 ?
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
1.763 41.029 90.5 ? 0.097 0.1 2.2 ? 37131 ? ? ?
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 1.763 1.79 ? ? 0.22 ? ? ?
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 ID13 0.9826 ESRF ID13
Software
Software Name Purpose Version
PHENIX refinement 1.8.4_1496
HKL-2000 data reduction .
HKL-2000 data scaling .
PHENIX phasing .
HKL-2000 data scaling .
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