X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.8 298 10-15% PEG 4000 and 0.1 M MnCl2, protein buffer: 20 mM Tris-Hcl (pH 7.8), 250 mM NaCl, 1 mM EDTA, VAPOR DIFFUSION, SITTING DROP, temperature 298K
Unit Cell:
a: 63.288 Å b: 79.145 Å c: 82.079 Å α: 65.000° β: 69.190° γ: 69.490°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 2.61 Solvent Content: 52.86
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 THROUGHOUT 2.210 40.390 63270 3205 96.260 0.188 0.245 16.943
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
2.200 50.000 97.500 0.085 ? 10.000 3.800 ? 63933 ? ? ?
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 2.20 2.28 91.80 ? ? ? 2.70 6027
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 SSRL BEAMLINE BL9-2 0.97903 SSRL BL9-2
Software
Software Name Purpose Version
DENZO data reduction .
SCALEPACK data scaling .
SOLVE phasing 2.10
REFMAC refinement 5.3.0037
PDB_EXTRACT data extraction 3.000
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