X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 291 12% (v/v) ethylene glycol; 6 % (w/v) PEG 8K, 0.1 M imidazole/MES buffer pH 6.5, and DL-amino-acids (glutamic acid, alanine, glycine; lysine, serine) at 20 mM
Unit Cell:
a: 44.606 Å b: 89.052 Å c: 113.391 Å α: 90.000° β: 90.000° γ: 90.000°
Symmetry:
Space Group: P 21 21 21
Crystal Properties:
Matthew's Coefficient: 2.60 Solvent Content: 52.72
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 2.00 70.04 30368 1549 96.95 0.1695 0.2045 28.40
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
2 113.39 96.9 0.117 ? 17.2 14.3 ? 30434 ? ? 26.28
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 2.05 100 ? ? ? 15.0 ?
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 ALBA BEAMLINE XALOC 0.9793 ALBA XALOC
Software
Software Name Purpose Version
PHENIX refinement 1.21.1_5286
autoPROC data processing .
Aimless data scaling .
PHASER phasing .
BUSTER refinement .
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