X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 6.0 291 1.9M ammonium sulfate, 0.1M sodium citrate, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Unit Cell:
a: 122.999 Å b: 122.999 Å c: 122.999 Å α: 90.000° β: 90.000° γ: 90.000°
Symmetry:
Space Group: P 21 3
Crystal Properties:
Matthew's Coefficient: 5.23 Solvent Content: 76.47
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 THROUGHOUT 3.000 43.5 12643 615 99.850 0.244 0.267 89.474
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
3.0 86.970 100 0.102 ? 12.9 9.50 12666 12666 0 2.0 89.474
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 3.0 3.1 100 ? ? 3.8 6.99 1197
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 ALS BEAMLINE 4.2.2 0.97 ALS 4.2.2
Software
Software Name Purpose Version
PHASER phasing .
REFMAC refinement 5.5.0102
PDB_EXTRACT data extraction 3.005
StructureStudio data collection .
d*TREK data reduction .
d*TREK data scaling .
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