X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 8.5 291 Hcp1 at 14 mg/ml, 30% w/v PEG 400, 200 mM trisodium citrate (Na3C6H5O7) and 100 mM Tris pH 8.5,
Unit Cell:
a: 77.366 Å b: 77.366 Å c: 47.635 Å α: 90.00° β: 90.00° γ: 120.00°
Symmetry:
Space Group: P 6
Crystal Properties:
Matthew's Coefficient: 2.60 Solvent Content: 52.62
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 SAD FREE R-VALUE 1.95 22.44 23222 2334 99.73 0.1953 0.2343 ?
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
1.95 22.44 99.64 0.055 ? 35.10 20 ? 248578 ? ? 47.14
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 1.95 2.02 99.58 ? ? 3.28 15 ?
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 ID30B 0.9677 ESRF ID30B
Software
Software Name Purpose Version
PHENIX refinement (1.19.2_4158)
PDB_EXTRACT data extraction V4.3
XDS data reduction v20161205
Aimless data scaling v0.7.1
PHENIX phasing (1.19.2_4158)
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