X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 5 295 0.1 M Sodium citrate, 22 %(saturation) ammonium sulfate, 12 % (w/v) PEG 4000, pH 5, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Unit Cell:
a: 69.703 Å b: 93.346 Å c: 128.277 Å α: 90.000° β: 90.000° γ: 90.000°
Symmetry:
Space Group: I 21 21 21
Crystal Properties:
Matthew's Coefficient: 2.57 Solvent Content: 52.08
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 ? 1.760 15.000 73903 7258 92.300 ? 0.247 23.787
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
1.700 50.000 98.000 0.087 ? 10.700 7.100 ? 85672 ? ? ?
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 1.70 1.76 96.50 ? ? ? 5.80 4371
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 93 K
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
SYNCHROTRON NSLS BEAMLINE X25 0.9794 NSLS X25
Software
Software Name Purpose Version
DENZO data reduction .
SCALEPACK data scaling .
CNS refinement .
RESOLVE phasing 2.06
PDB_EXTRACT data extraction 2.000
ADSC data collection Quantum
HKL-2000 data reduction .
SOLVE phasing .
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