X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 5.6 291 100mM NaCitrat, 200mM Ammoniumacetat, 30% MPEG 5000, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Unit Cell:
a: 97.190 Å b: 84.900 Å c: 150.940 Å α: 90.00° β: 96.30° γ: 90.00°
Symmetry:
Space Group: P 1 21 1
Crystal Properties:
Matthew's Coefficient: 2.95 Solvent Content: 58.29
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 THROUGHOUT 2.200 19.000 123085 6155 100.000 0.193 0.251 40.652
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
2.200 19.0 99.2 0.124 0.124 8.56 3.5 123108 123108 0 0 38.236
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 2.20 2.3 0.99 96.40 0.448 3.6 3.5 15426
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 SLS BEAMLINE X06SA 0.9788 SLS X06SA
Software
Software Name Purpose Version
XSCALE data scaling .
REFMAC refinement .
PDB_EXTRACT data extraction 1.701
ProDC data collection .
SOLVE phasing .
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