X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 8.5 289 1.0 MICROLITER DROPS CONTAINING EQUAL VOLUMES OF PROTEIN CONCENTRATE (9.5 mg/ml) AND SOLUTION CONTAINING 0.1 M Tris-HCl pH 8.5, 2.4 M di-Ammonium Phosphate, VAPOR DIFFUSION, temperature 289K
Unit Cell:
a: 76.525 Å b: 76.525 Å c: 137.562 Å α: 90.00° β: 90.00° γ: 120.00°
Symmetry:
Space Group: P 62
Crystal Properties:
Matthew's Coefficient: 2.21 Solvent Content: 44.46
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 1.910 19.670 35198 1763 99.960 0.191 0.229 17.961
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
1.910 50.000 99.900 ? 0.065 22.800 20.800 ? 35274 ? 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 1.91 1.98 100.00 ? ? ? 18.90 3504
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-BM 0.97240 APS 22-BM
Software
Software Name Purpose Version
DENZO data reduction .
SCALEPACK data scaling .
REFMAC refinement 5.2.0019
PDB_EXTRACT data extraction 2.000
SERGUI data collection .
HKL-2000 data reduction .
SGXPRO phasing .
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