X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 4.6 292 PEG 4000, Sodium acetate, Glycerol, Ammonium acetate, pH 4.6, vapor diffusion, hanging drop, temperature 292K
Unit Cell:
a: 80.18 Å b: 52.24 Å c: 36.78 Å α: 90.00° β: 102.63° γ: 90.00°
Symmetry:
Space Group: C 1 2 1
Crystal Properties:
Matthew's Coefficient: 2.10 Solvent Content: 41.45
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 FOURIER SYNTHESIS THROUGHOUT 1.40 29.90 29248 1000 99.630 0.148 0.199 18.608
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
1.400 29.90 99.800 0.102 ? 13.008 3.9 29249 29249 ? -3.0 11.68
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 1.40 1.45 99.50 ? ? 2.0 3.8 2928
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 NSLS BEAMLINE X9B 0.97793 NSLS X9B
Software
Software Name Purpose Version
DENZO data reduction .
SCALEPACK data scaling .
PHENIX refinement .
PDB_EXTRACT data extraction 3.005
ADSC data collection Quantum
CNS phasing .
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