X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 6.4 278 22% PEG1500, 0.1M PCB, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 278K
Unit Cell:
a: 43.952 Å b: 95.889 Å c: 119.917 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: P 21 21 21
Crystal Properties:
Matthew's Coefficient: 2.54 Solvent Content: 51.58
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 ? 1.810 74.891 46968 2418 99.69 0.1633 0.2023 26.6574
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
1.810 119.917 99.800 ? 0.119 6.300 3.800 47043 47043 0 0 ?
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 1.810 1.910 99.600 ? 0.665 1.100 3.800 ?
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 ALS BEAMLINE 8.3.1 1.11587 ALS 8.3.1
Software
Software Name Purpose Version
MOSFLM data reduction .
SCALA data scaling 3.3.20
PHENIX refinement 1.8_1069
PDB_EXTRACT data extraction 3.11
ELVES refinement .
PHENIX phasing .
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