X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.0 291 1M NaKPO4 pH 7.0, 8% MPD, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Unit Cell:
a: 132.811 Å b: 132.811 Å c: 107.156 Å α: 90.00° β: 90.00° γ: 120.00°
Symmetry:
Space Group: P 64 2 2
Crystal Properties:
Matthew's Coefficient: 3.66 Solvent Content: 66.39
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 2.20 28.75 27299 1487 99.38 0.20231 0.22933 46.584
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
2.20 28.75 99.54 0.127 0.127 28.3 42.7 28860 28860 0 0 50.9
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 2.20 2.31 97.5 ? 3.700 1.3 41.4 4006
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 110 K
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
SYNCHROTRON AUSTRALIAN SYNCHROTRON BEAMLINE MX2 0.95468 Australian Synchrotron MX2
Software
Software Name Purpose Version
ADSC data collection Quantum
PHASER phasing .
REFMAC refinement 5.6.0117
XDS data reduction .
SCALA data scaling .
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