X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.0 295 protein: 7.4 mg/mL in 0.25 M sodium cloride, 0.01 M Tris-HCl, pH 8.3, screen: Classics II (H3), 0.24 M sodium malonate, pH 7.0, 20% w/v PEG3350, VAPOR DIFFUSION, SITTING DROP, temperature 295K
Unit Cell:
a: 95.548 Å b: 95.548 Å c: 95.548 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: P 2 3
Crystal Properties:
Matthew's Coefficient: 3.10 Solvent Content: 60.31
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 MOLECULAR REPLACEMENT THROUGHOUT 2.65 28.81 7596 379 91.73 0.20510 0.25452 66.329
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
2.65 30.0 99.3 0.061 ? 18.0 4.3 8662 8662 ? -3.0 87.2
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 2.65 2.70 100 ? ? 2.5 4.4 430
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 21-ID-D 1.07806 APS 21-ID-D
Software
Software Name Purpose Version
Blu-Ice data collection Max
BALBES phasing .
REFMAC refinement 5.5.0102
HKL-3000 data reduction .
HKL-3000 data scaling .
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