X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.0 295 0.2 M LiCl, 0.1 M HEPES, pH7.0, 20% (w/v) PEG6000
Unit Cell:
a: 46.167 Å b: 68.861 Å c: 68.441 Å α: 92.230° β: 77.026° γ: 91.840°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 2.15 Solvent Content: 42.72
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 1.75006148726 37.2364552136 75370 3746 91.0727663791 0.158241721583 0.19952021866 19.4899005082
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
1.75 48.668 91.07 0.053 ? 17.6 2.3 ? 75377 ? ? 16.0102224723
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 1.75 1.813 54.76 ? ? ? 2.2 ?
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 8.2.1 1 ALS 8.2.1
Software
Software Name Purpose Version
phenix.refine refinement 1.12_2829
PHENIX refinement 1.12_2829
HKL-2000 data reduction .
HKL-2000 data scaling .
PHASER phasing .
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