X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 5.6 293 0.1M trisodium citrate dihydrate, 36% (v/v) 2-methyl-2,4-pentandiol, 0.2M Li2SO4, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Unit Cell:
a: 252.882 Å b: 28.657 Å c: 41.887 Å α: 90.00° β: 98.25° γ: 90.00°
Symmetry:
Space Group: C 1 2 1
Crystal Properties:
Matthew's Coefficient: 2.12 Solvent Content: 41.85
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 2.5 30.0 9365 482 87.2 0.251 0.289 53.5
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
2.5 30.0 87.2 0.124 0.039 8.7 5.3 10740 9365 0 0 57.4
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 2.5 2.66 46.4 ? 0.309 1.9 5.1 827
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 SLS BEAMLINE X10SA 0.9 SLS X10SA
Software
Software Name Purpose Version
MAR345dtb data collection .
MOLREP phasing .
CNS refinement 1.1
MAR345 data collection 345DTB
DENZO data reduction .
SCALEPACK data scaling .
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