X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 5.3 294 PEG400, Ammonium Acetate, Sodium Acetate, EDTA, 2-mercaptoethanol, pH 5.3, VAPOR DIFFUSION, HANGING DROP, temperature 294K
Unit Cell:
a: 158.070 Å b: 158.070 Å c: 81.450 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: P 4 21 2
Crystal Properties:
Matthew's Coefficient: 2.51 Solvent Content: 50.91
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 MAD ? 2.601 33.88 29130 2332 90.290 0.208 0.263 74.012
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
2.6 33.88 97.4 0.051 ? 13.2 5.3 32718 32178 0 -3 49.9
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 94.0 ? ? ? ? 3091
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 SSRL BEAMLINE BL9-2 0.9798 SSRL BL9-2
Software
Software Name Purpose Version
PHENIX refinement (phenix.refine)
ADSC data collection Quantum
DENZO data reduction .
SCALEPACK data scaling .
CNS phasing .
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