X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.0 277 40% PEG 4000, 0.1M Lithium sulfate, 0.1M MOPS pH 7.0, MICROBATCH UNDER OIL, temperature 277K
Unit Cell:
a: 62.678 Å b: 41.687 Å c: 65.656 Å α: 90.00° β: 91.74° γ: 90.00°
Symmetry:
Space Group: P 1 21 1
Crystal Properties:
Matthew's Coefficient: 2.34 Solvent Content: 47.35
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 2.40 25.78 22183 1060 85.3 0.231 0.254 51.0
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
2.40 50.0 97.7 0.050 ? 18.53 3.4 25820 25820 0.0 0.0 35.1
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 2.40 2.49 92.2 ? ? 3.8 2.7 2662
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 X4A 0.97923 NSLS X4A
Software
Software Name Purpose Version
CNS refinement 1.1
HKL-2000 data collection .
DENZO data reduction .
SCALEPACK data scaling .
SnB phasing .
RESOLVE phasing .
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