X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7 290 25% PEG 4000 , pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 290K
Unit Cell:
a: 49.309 Å b: 49.309 Å c: 132.588 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: P 43 2 2
Crystal Properties:
Matthew's Coefficient: 2.2 Solvent Content: 44.7
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 2.00 49.39 10829 542 97.31 0.20572 0.28106 25.358
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
2.0 49.39 98.8 0.177 0.177 11.68 10.87 127485 127155 2.000 2.000 24.418
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 2.0 2.03 76.7 ? 0.79 1.23 2.6 1142
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 ESRF BEAMLINE ID29 0.979 ESRF ID29
Software
Software Name Purpose Version
REFMAC refinement 5.1.24
DENZO data reduction .
SCALEPACK data scaling .
SHELXD phasing .
SHARP phasing .
ARP/wARP model building .
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