X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 8.2 293 1.2 M sodium potassium phosphate buffer, cryoprotection in 10% (v/v) glycerol and 2.16 M sodium potassium phosphate buffer
Unit Cell:
a: 77.892 Å b: 77.893 Å c: 135.987 Å α: 105.667° β: 101.164° γ: 90.016°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 2.76 Solvent Content: 55.48
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 2.60 42.98 79126 1914 85.41 0.2314 0.2713 62.12
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
2.50 42.98 91.8 ? ? 4.9 2.9 ? 82180 ? ? 51.38
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 7.21 42.98 95.0 ? ? 15.1 2.8 ?
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 ID23-2 0.87313 ESRF ID23-2
Software
Software Name Purpose Version
XDS data reduction .
STARANISO data scaling .
MoRDa phasing .
PHENIX refinement 1.21.2_5419
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