X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 3.5 292 Protein: 7.2 mg/ml, 0.5M Sodium chloride, 0.01M Tris HCl (pH 8.3); Screen: Classics II (A7), 0.1M Citric acid (pH 3.5), 3.0M Sodium chloride. Cryo: 4.0M Formate
Unit Cell:
a: 33.046 Å b: 71.087 Å c: 106.359 Å α: 90.000° β: 90.000° γ: 90.000°
Symmetry:
Space Group: I 2 2 2
Crystal Properties:
Matthew's Coefficient: 2.0 Solvent Content: 38.9
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 0.9900 26.6000 62187 3176 93.2100 0.1205 0.1410 9.1170
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
0.99 30.00 93.4 0.075 0.075 45.1 7.3 ? 65367 ? -3.0 6.8
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 0.99 1.01 82.2 ? 0.679 3.2 6.0 ?
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 21-ID-G 0.97856 APS 21-ID-G
Software
Software Name Purpose Version
REFMAC refinement 5.8.0238
PDB_EXTRACT data extraction 3.27
HKL-3000 data reduction .
HKL-3000 data scaling .
HKL-3000 phasing .
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