X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.4 293.15 1.75M Potassium Citrate (K3Cit), pH 7.4, VAPOR DIFFUSION, SITTING DROP, temperature 293.15K
Unit Cell:
a: 76.576 Å b: 76.576 Å c: 234.410 Å α: 90.00° β: 90.00° γ: 120.00°
Symmetry:
Space Group: P 32
Crystal Properties:
Matthew's Coefficient: 3.40 Solvent Content: 63.86
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 2.54 43.91 48817 1971 99.74 0.20541 0.24132 39.327
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
2.54 50.50 99.8 0.111 ? 11.6 5.8 50847 50786 0.0 0.0 53.4
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 2.54 2.67 99.0 ? ? 2.0 3.9 7351
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 100.0 K
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
SYNCHROTRON DIAMOND BEAMLINE I04 0.9763 Diamond I04
Software
Software Name Purpose Version
GDA data collection .
PHASER phasing .
REFMAC refinement 5.5.0110
MOSFLM data reduction .
SCALA data scaling .
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