X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.0 299 20 mM BES pH 7.0, 2.12 M Ammonium sulfate, 31% Glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 299K
Unit Cell:
a: 130.136 Å b: 130.136 Å c: 153.948 Å α: 90.00° β: 90.00° γ: 120.00°
Symmetry:
Space Group: P 31 1 2
Crystal Properties:
Matthew's Coefficient: 4.12 Solvent Content: 70.13
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 3.40 19.98 16394 790 79.5 0.209 0.267 105.2
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
3.40 30.0 93.5 0.074 0.047 14.92 3.4 20687 19343 ? ? 84
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 3.40 3.52 95.7 ? 0.404 2.5 3.4 2064
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 0.9805 NSLS X25
Software
Software Name Purpose Version
ADSC data collection Quantum
MOLREP phasing .
CNS refinement 1.2
HKL-2000 data reduction .
SCALEPACK data scaling .
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