X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 4.5 289 0.1 M sodium acetate, 2.0 ammonium sulfate, pH 4.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K
Unit Cell:
a: 92.52 Å b: 92.52 Å c: 33.47 Å α: 90.00° β: 90.00° γ: 120.00°
Symmetry:
Space Group: P 61
Crystal Properties:
Matthew's Coefficient: 2.53 Solvent Content: 51.41
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 1.648 25.687 19828 1007 98.71 0.1608 0.1833 ?
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
1.648 50 98.8 0.068 ? 28.4 3.7 20664 19834 ? -3 21.0
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 1.65 1.68 99.5 ? ? 2.2 3.4 995
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 19-ID 0.9791831 APS 19-ID
Software
Software Name Purpose Version
SBC-Collect data collection .
SHELX model building .
MLPHARE phasing .
DM model building .
ARP/wARP model building .
Coot model building .
PHENIX refinement (phenix.refine: 1.6.1_357)
HKL-3000 data reduction .
HKL-3000 data scaling .
SHELX phasing .
DM phasing .
Feedback Form
Name
Email
Institute
Feedback