X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 6.5 293 50 mg/ml protein, 0.5 M NaNO3, 50 mM citrate buffer, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Unit Cell:
a: 67.55 Å b: 67.55 Å c: 106.88 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: P 43 21 2
Crystal Properties:
Matthew's Coefficient: 1.80 Solvent Content: 41.55
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 AB INITIO PHASING FREE R 1.27 40.00 62172 3166 96.7 0.1245 0.1588 ?
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
1.27 40 97.9 0.033 0.033 102.2 27.1 63505 62172 4 ? 7.8
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 1.27 1.32 92.7 ? 0.131 30.1 26.3 5996
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 0.98000 APS 22-ID
Software
Software Name Purpose Version
SHELX model building .
SHELXL-97 refinement .
SERGUI data collection .
HKL-2000 data reduction .
HKL-2000 data scaling .
SHELXD phasing .
SHELXE model building .
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