X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 8 293 30% PEG400 0.1M Tris-HCl, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Unit Cell:
a: 33.261 Å b: 54.705 Å c: 66.509 Å α: 90.00° β: 99.91° γ: 90.00°
Symmetry:
Space Group: P 1 21 1
Crystal Properties:
Matthew's Coefficient: 2.25 Solvent Content: 45.34
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 1.10 20.00 88420 4669 97.80 0.15553 0.17149 9.823
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
1.1 50 97.8 0.053 0.053 19.25 3.3 ? 93127 0 0 ?
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 1.1 1.4 86.2 ? 0.318 2.88 2.3 8153
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-D 0.9795 APS 23-ID-D
Software
Software Name Purpose Version
REFMAC refinement 5.2.0005
HKL-2000 data collection .
HKL-2000 data reduction .
HKL-2000 data scaling .
MOLREP phasing .
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