X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 4.8 293 USING 1 MICROLITER DROPS CONTAINING EQUAL VOLUMES OF PROTEIN CONCENTRATE (10.0 mg/ml) AND RESERVOIR SOLUTION CONTAINING 24% v/v MPD, 0.1M Sodium acetate (pH 4.8), 0.1M Magnesium chloride, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Unit Cell:
a: 122.071 Å b: 122.071 Å c: 109.067 Å α: 90.000° β: 90.000° γ: 120.000°
Symmetry:
Space Group: P 61
Crystal Properties:
Matthew's Coefficient: 4.24 Solvent Content: 71.01
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 ? 2.500 40.67 31920 3214 99.800 ? 0.244 38.998
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
2.500 50.000 100.000 ? 0.092 19.000 10.500 31973 31973 0 0 ?
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 2.50 2.59 100.00 ? ? ? 11.20 3168
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 APS BEAMLINE 22-ID 0.97928 APS 22-ID
Software
Software Name Purpose Version
DENZO data reduction .
SCALEPACK data scaling .
CNS refinement .
PDB_EXTRACT data extraction 2.000
SERGUI data collection .
HKL-2000 data reduction .
SGXPRO phasing .
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