X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 10.5 277 0.8000M K2HPO4, 0.2000M Li2SO4, 1.2000M NaH2PO4, 0.1M CAPS pH 10.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Unit Cell:
a: 105.540 Å b: 105.540 Å c: 80.630 Å α: 90.000° β: 90.000° γ: 120.000°
Symmetry:
Space Group: P 32 2 1
Crystal Properties:
Matthew's Coefficient: 3.37 Solvent Content: 63.46
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 1.900 28.502 41113 2061 99.860 0.156 0.181 33.027
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
1.90 28.502 99.800 0.078 ? 10.740 7.50 ? 41139 ? -3.00 30.168
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 1.90 1.97 99.10 ? ? 1.8 ? ?
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 APS BEAMLINE 23-ID-B 0.94645,0.97967 APS 23-ID-B
Software
Software Name Purpose Version
REFMAC refinement 5.2.0019
PHENIX refinement .
SHELX phasing .
MolProbity model building 3beta29
XSCALE data scaling .
PDB_EXTRACT data extraction 3.006
XDS data reduction .
SHELXD phasing .
autoSHARP phasing .
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