X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.00 294 60% Tacsimate, pH 7.0, 10% Glycerol, pH 7.00, VAPOR DIFFUSION, SITTING DROP, temperature 294K
Unit Cell:
a: 170.772 Å b: 115.397 Å c: 164.113 Å α: 90.00° β: 96.06° γ: 90.00°
Symmetry:
Space Group: C 1 2 1
Crystal Properties:
Matthew's Coefficient: 2.25 Solvent Content: 45.46
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 MOLECULAR REPLACEMENT THROUGHOUT 2.00 20.00 200140 6225 96.91 0.1974 0.25702 38.776
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
2.000 50.000 98.1 0.094 0.066 3.7000 2.100 412398 412398 ? -5.000 31.240
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 2.00 2.07 94.0 ? 0.56 0.600 1.90 39577
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 31-ID 0.97960 APS 31-ID
Software
Software Name Purpose Version
MOLREP phasing .
REFMAC refinement 5.3.0028
MAR345 data collection CCD
HKL-2000 data reduction .
HKL-2000 data scaling .
PHASER phasing .
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