X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 293.15 Ammonium sulfate,Sodium cacodylate pH 6.0, PEG 4000
Unit Cell:
a: 48.708 Å b: 63.579 Å c: 75.507 Å α: 105.864° β: 92.656° γ: 97.701°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 2.51 Solvent Content: 51.07
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 2.30 28.78 37232 3904 94.58 0.2607 0.3160 57.70
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
2.3 50 97.32 ? ? 21.53 3.5 ? 37232 ? ? 49.69
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 2.3 2.382 ? ? ? ? ? ?
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 80 K ?
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
SYNCHROTRON NFPSS BEAMLINE BL19U1 0.978530 NFPSS BL19U1
Software
Software Name Purpose Version
PHENIX refinement 1.17.1_3660
XDS data scaling .
Coot model building .
PHENIX phasing 1.17.1_3660
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