X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 5.6 293 0.2M Ammonium acetate, 0.1M Sodium citrate tribasic dihydrate pH 5.6, 30% w/v Polyethylene glycol 4000
Unit Cell:
a: 73.450 Å b: 42.540 Å c: 155.040 Å α: 90.000° β: 94.650° γ: 90.000°
Symmetry:
Space Group: P 1 21 1
Crystal Properties:
Matthew's Coefficient: 2.24 Solvent Content: 40.85
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 2.2000 51.1140 47885 1990 97.0400 0.1994 0.2519 44.8521
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 51.510 97.800 0.161 ? 4.100 3.100 ? 47970 ? ? 26.390
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 2.200 2.270 96.100 ? ? ? 3.100 ?
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 273 K ?
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
SEALED TUBE BRUKER IMUS MICROFOCUS 1.54 ? ?
Software
Software Name Purpose Version
Aimless data scaling 0.3.11
PHENIX refinement 1.12_2829
PDB_EXTRACT data extraction 3.25
iMOSFLM data reduction .
PHENIX phasing .
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