X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 3.5 291 Reservoir: 11% PEG3350, 40 mM Citric Acid pH 3.5. Protein concentration: 7.8 mg/mL. Protein Buffer: 20 mM HEPES, pH 7.8, 150 mM NaCl, 2 mM ZnSO4, 38 mM B-ME., VAPOR DIFFUSION, HANGING DROP, temperature 291K
Unit Cell:
a: 76.100 Å b: 112.070 Å c: 95.310 Å α: 90.000° β: 90.000° γ: 90.000°
Symmetry:
Space Group: C 2 2 21
Crystal Properties:
Matthew's Coefficient: 2.31 Solvent Content: 46.82
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 ? 2.5530 38.0500 13314 1332 97.9500 0.2020 0.2327 43.4823
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
2.550 52.531 98.100 0.065 ? 14.900 5.56 13597 13340 ? -3.000 74.899
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 2.550 2.620 95.300 ? ? 2.720 ? ?
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 24-ID-C 1.282 APS 24-ID-C
Software
Software Name Purpose Version
XSCALE data scaling .
PHASER phasing 2.4.0
PHENIX refinement 1.8_1069
PDB_EXTRACT data extraction 3.11
ADSC data collection Quantum
XDS data reduction .
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