X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 8.5 ? pH 8.5
Unit Cell:
a: 111.649 Å b: 111.649 Å c: 152.069 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: P 42 21 2
Crystal Properties:
Matthew's Coefficient: 3.7 Solvent Content: 66.5
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 RIGID BODY REFINEMENT THROUGHOUT 2.30 30.00 41747 1852 96.3 0.225 0.252 36.20
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
2.3 30.00 99.2 ? 0.07 20.8 6.2 ? 42988 ? ? 23.40
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 2.30 2.38 99.3 ? 0.218 6.8 ? ?
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 5.0.2 ? ALS 5.0.2
Software
Software Name Purpose Version
CNS refinement 1.0
DENZO data reduction .
SCALEPACK data scaling .
CNS phasing .
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