X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 5.2 289 31% PEG4000, 0.2M Magnesium chloride, pH 5.2, VAPOR DIFFUSION, HANGING DROP, temperature 289K
Unit Cell:
a: 130.488 Å b: 130.488 Å c: 63.422 Å α: 90.00° β: 90.00° γ: 120.00°
Symmetry:
Space Group: P 65
Crystal Properties:
Matthew's Coefficient: 2.17 Solvent Content: 43.39
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 1.750 45.477 56517 2864 90.95 0.1580 0.1935 ?
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
1.75 50 79 ? 0.059 21 3.3 58954 ? 2 2 29.7
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 1.75 1.78 62.2 ? 0.543 1.2 1.6 1186
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 NSLS BEAMLINE X25 0.97950 NSLS X25
Software
Software Name Purpose Version
HKL-2000 data collection .
PHASER phasing .
PHENIX refinement (phenix.refine: 1.6_289)
HKL-2000 data reduction .
HKL-2000 data scaling .
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