X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 3.0 288 2.0M ammonium sulfate, 0.1M sodium citrate, pH 3.0, VAPOR DIFFUSION, HANGING DROP, temperature 288K
Unit Cell:
a: 84.584 Å b: 41.295 Å c: 43.124 Å α: 90.000° β: 91.180° γ: 90.000°
Symmetry:
Space Group: C 1 2 1
Crystal Properties:
Matthew's Coefficient: 2.72 Solvent Content: 54.72
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 0.88 45.00 109877 ? 93.8 ? 0.1311 14.628
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
0.880 45.000 98.9 0.055 ? 19.500 9.600 ? 115668 ? ? 6.95
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 0.88 0.89 95.4 ? ? ? 4.40 3698
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 PHOTON FACTORY BEAMLINE BL-5A 1.000 Photon Factory BL-5A
Software
Software Name Purpose Version
DENZO data reduction .
SCALEPACK data scaling .
SHELX refinement .
PDB_EXTRACT data extraction 3.005
HKL-2000 data collection .
MOLREP phasing .
SHELXL-97 refinement .
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