X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 6.5 300 Bis Tris, PEG3350, MgCl2
Unit Cell:
a: 69.260 Å b: 69.260 Å c: 213.116 Å α: 90.000° β: 90.000° γ: 90.000°
Symmetry:
Space Group: P 41
Crystal Properties:
Matthew's Coefficient: 2.19 Solvent Content: 43.74
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 2.45 48.97 36075 1851 98.78 0.2054 0.2564 43.73
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
2.45 48.97 98.76 0.1288 ? 16.57 9.6 ? 36468 ? ? 39.19
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 2.45 2.54 97.24 ? ? 4.81 9.2 ?
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 SSRF BEAMLINE BL18U1 0.9792 SSRF BL18U1
Software
Software Name Purpose Version
PHENIX refinement 1.20.1_4487
PHENIX refinement 1.20.1_4487
HKL-3000 data reduction version 723
HKL-3000 data scaling version 723
PHENIX phasing 1.20.1_4487
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