X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 8.0 293 19% (w/v) PEG 2000, 6% (w/v) PEG-MME 8000, 100mM BIS-TRIS pH 8.0 200mM sodium chloride
Unit Cell:
a: 39.693 Å b: 74.419 Å c: 164.861 Å α: 90.000° β: 90.000° γ: 90.000°
Symmetry:
Space Group: P 21 21 21
Crystal Properties:
Matthew's Coefficient: 2.38 Solvent Content: 48.42
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 2.400 44.2070 19890 1993 99.4300 0.1901 0.2298 48.5382
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
2.400 50.000 99.900 0.101 ? 7.700 12.200 ? 19980 ? ? 45.630
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 2.400 2.490 99.600 ? ? ? 11.800 ?
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 108 K ?
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
SYNCHROTRON ALS BEAMLINE 5.0.2 1.000 ALS 5.0.2
Software
Software Name Purpose Version
HKL-2000 data reduction .
PHENIX refinement 1.9_1692
PDB_EXTRACT data extraction 3.22
HKL-2000 data scaling .
PHASER phasing .
HKL data scaling .
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