X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 10.5 298 PEG 1550, CAPS, pH 10.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Unit Cell:
a: 113.463 Å b: 113.463 Å c: 65.338 Å α: 90.00° β: 90.00° γ: 120.00°
Symmetry:
Space Group: P 64
Crystal Properties:
Matthew's Coefficient: 2.38 Solvent Content: 48.30
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 THROUGHOUT 1.85 25.0 40935 1169 99.8 0.204 0.284 ?
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
1.85 25.0 98.8 ? 0.071 6.6 8.2 ? 40958 0 0 20.6
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 1.85 1.90 98.8 ? 0.41 1.9 6.5 2614
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 BL1-5 0.9789, 0.9792, 0.9252 SSRL BL1-5
Software
Software Name Purpose Version
MOSFLM data reduction .
SCALA data scaling .
SHARP phasing .
TNT refinement .
CCP4 data scaling (SCALA)
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