X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 6.5 291 0.2 M Sodium chloride, 0.1 M Bis-Tris buffer, 25% PEG3350, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K
Unit Cell:
a: 50.155 Å b: 99.248 Å c: 192.672 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: P 21 21 21
Crystal Properties:
Matthew's Coefficient: 2.06 Solvent Content: 40.40
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 SAD THROUGHOUT 1.83 36.74 78518 4158 96.47 0.1914 0.2277 19.436
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
1.83 36.74 95.9 0.094 ? 29.7 13.3 82843 82843 0 0 35.3
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 1.83 1.91 57.8 ? ? 2.19 7.7 3788
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 APS BEAMLINE 19-BM 0.97970 APS 19-BM
Software
Software Name Purpose Version
SHELXD phasing .
MLPHARE phasing .
DM model building .
SOLVE phasing .
RESOLVE model building .
HKL-2000 data scaling .
SBC-Collect data collection .
HKL-3000 data reduction .
HKL-3000 data scaling .
DM phasing .
RESOLVE phasing .
HKL-3000 phasing .
REFMAC refinement 5.2.0019
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