X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.5 293 0.1M HEPES, 0.65M MGFORMATE, pH 7.5, VAPOR DIFFUSION, temperature 293K
Unit Cell:
a: 64.222 Å b: 75.378 Å c: 98.079 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: P 21 21 21
Crystal Properties:
Matthew's Coefficient: 2.32 Solvent Content: 46.94
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 2.78 50.00 12223 590 99.110 0.250 0.279 81.49
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
2.800 50.000 99.9 0.12200 0.12200 19.7970 7.100 12269 12269 0 -3.000 69.8
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 2.80 2.85 94.8 ? 0.70800 2.100 6.90 ?
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-ID 0.9790 APS 19-ID
Software
Software Name Purpose Version
HKL-2000 data collection .
HKL-3000 phasing .
MLPHARE phasing .
DM model building .
SHELXD phasing .
RESOLVE model building .
ARP/wARP model building .
BUCCANEER model building .
REFMAC refinement 5.5.0109
Coot model building .
HKL-2000 data reduction .
HKL-2000 data scaling .
DM phasing .
RESOLVE phasing .
BUCCANEER phasing .
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