X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.5 291 0.2 M L-Proline, 0.1 M HEPES pH 7.5, 10 % PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 291K
Unit Cell:
a: 64.259 Å b: 155.923 Å c: 156.244 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: P 21 21 21
Crystal Properties:
Matthew's Coefficient: 2.66 Solvent Content: 53.80
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 2.382 49.627 62858 3178 98.76 0.174 0.227 59.8
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
2.382 50 99.8 ? 0.090 10.8 6.8 62971 62971 0.0 0.0 50.83
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 2.4 2.44 100 ? 0.631 3.2 6.9 3081
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 0.97931 APS 19-ID
Software
Software Name Purpose Version
SBC-Collect data collection .
HKL-3000 data collection .
HKL-3000 phasing .
SHELXS phasing .
MLPHARE phasing .
BUCCANEER model building .
PHENIX refinement (phenix.refine: dev_851)
HKL-3000 data reduction .
HKL-3000 data scaling .
BUCCANEER phasing .
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