X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 6.45 298 0.1 M Sodium citrate pH 6.45, 1.3 M Li2SO4, 0.5 M Ammonium sulfate, VAPOR DIFFUSION, SITTING DROP, temperature 298K
Unit Cell:
a: 68.675 Å b: 99.546 Å c: 132.190 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: P 21 21 21
Crystal Properties:
Matthew's Coefficient: 2.77 Solvent Content: 55.59
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 2.60 50.0 25169 2482 88.0 0.221 0.273 47.82
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
2.60 50.0 88.0 0.068 ? 17.7 4.0 28588 25169 ? 2.0 ?
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 2.60 2.69 ? ? ? 1.87 3.5 2291
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 113 K
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
SYNCHROTRON ALS BEAMLINE 8.2.1 1.0000 ALS 8.2.1
Software
Software Name Purpose Version
HKL-2000 data collection .
CNS refinement .
HKL-2000 data reduction .
SCALEPACK data scaling .
CNS phasing .
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