X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.8 292 2M Ammonium Sulfate, 200 mM Potassium Chloride, 2% PEG 400, 5% D-trehalose, 2 mM Zinc Chloride, 5 mM Magnesium Chloride, 100 mM HEPES-Na, pH 7.8, VAPOR DIFFUSION, SITTING DROP, temperature 292K
Unit Cell:
a: 126.514 Å b: 126.514 Å c: 76.766 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: P 42 2 2
Crystal Properties:
Matthew's Coefficient: 3.12 Solvent Content: 60.55
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 SAD THROUGHOUT 2.7 30 16346 821 92.6 0.250 0.265 89.9
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
2.7 30 92.9 0.057 ? ? 5.0 17601 16350 0 0 82.1
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 2.70 2.76 93.3 ? ? 2.0 2.7 934
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 X29A 0.9791 NSLS X29A
Software
Software Name Purpose Version
HKL-2000 data collection .
SHARP phasing .
CNS refinement .
HKL-2000 data reduction .
HKL-2000 data scaling .
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