X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.5 298 1.5 M ammonium sulfate, 0.1 M HEPES pH7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
Unit Cell:
a: 51.972 Å b: 74.832 Å c: 68.818 Å α: 90.00° β: 102.21° γ: 90.00°
Symmetry:
Space Group: P 1 21 1
Crystal Properties:
Matthew's Coefficient: 2.07 Solvent Content: 40.66
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 1.900 50.000 39887 1995 97.990 ? 0.231 32.845
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
1.9 50 98.2 0.037 ? 35.2 3.9 ? 39887 ? ? 36.3
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 1.90 1.97 97.4 ? ? 4.5 3.9 7779
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 17-ID 0.9794672 APS 17-ID
Software
Software Name Purpose Version
REFMAC refinement refmac_5.2.0019
PDB_EXTRACT data extraction 2.000
JDirector data collection .
HKL-2000 data reduction .
HKL-2000 data scaling .
SOLVE phasing .
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