X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 277 25% PEG 400, 100 mM MgCl2
Unit Cell:
a: 219.810 Å b: 219.810 Å c: 74.190 Å α: 90.00° β: 90.00° γ: 120.00°
Symmetry:
Space Group: P 64 2 2
Crystal Properties:
Matthew's Coefficient: 4.18 Solvent Content: 70
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 3.5 48.2 13889 697 99.8 0.203 0.266 230.45
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
3.5 48.2 99.8 0.026 0.085 19.4 21.2 ? 13907 ? ? 205.95
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 3.5 3.82 99 ? ? 0.9 21.2 ?
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 1.0725 ESRF ID29
Software
Software Name Purpose Version
BUSTER refinement 2.10.2
XDS data reduction .
Aimless data scaling .
autoSHARP phasing .
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