X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 8.5 298 0.16 M magnesium chloride hexahydrate, 0.08 M Tris hydrochloride, pH 8.5, 24% w/v PEG4000, 20% v/v glycerol
Unit Cell:
a: 73.322 Å b: 95.696 Å c: 181.624 Å α: 90.000° β: 90.000° γ: 90.000°
Symmetry:
Space Group: P 2 21 21
Crystal Properties:
Matthew's Coefficient: 2.40 Solvent Content: 48.72
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 THROUGHOUT 1.9200 58.2700 93456 4796 99.9500 0.1608 0.1863 19.0170
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
1.92 60.54 100 0.090 ? 15.8 7.5 ? 98322 ? ? 13.62
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 1.92 1.95 100 ? ? 7.0 7.5 ?
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 80 K ?
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
SYNCHROTRON ALS BEAMLINE 4.2.2 1.0 ALS 4.2.2
Software
Software Name Purpose Version
REFMAC refinement 5.8.0238
PDB_EXTRACT data extraction 3.22
XDS data reduction .
XDS data scaling .
PHASER phasing .
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