X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 295 20 % (w/v) PEG 3350 0.2 M potassium formate
Unit Cell:
a: 49.487 Å b: 49.103 Å c: 80.051 Å α: 98.66° β: 97.88° γ: 100.02°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 2.64 Solvent Content: 53.47
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 FREE R-VALUE 2.950 19.909 30019 706 98.77 0.2288 0.2544 ?
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
2.95 20.0 99.0 ? 0.059 22.4 4.0 ? 30229 0 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 2.95 3.0 98.3 ? ? 1.9 3.9 ?
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 APS BEAMLINE 23-ID-D 0.97936, 0.97961, 0.94937 APS 23-ID-D
Software
Software Name Purpose Version
PHENIX refinement 1.9_1692
HKL-2000 data reduction .
HKL-2000 data scaling .
SHARP phasing .
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