X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 4.6 293 100mM Sodium acetate trihydrate, 30% PEG MME 2000, 200mM Ammonium sulfate
Unit Cell:
a: 27.590 Å b: 31.240 Å c: 32.250 Å α: 73.28° β: 85.38° γ: 71.73°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 1.88 Solvent Content: 34.45
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 FREE R-VALUE 0.900 30.884 65076 3260 89.68 0.1268 0.1446 ?
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
0.90 30.9 89.5 0.055 ? 18.1 5.5 ? 65076 ? ? ?
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 0.90 0.95 81.1 ? ? 4.0 3.9 ?
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 95 K ?
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
SYNCHROTRON PHOTON FACTORY BEAMLINE BL-17A 0.9800 Photon Factory BL-17A
Software
Software Name Purpose Version
PHENIX refinement 1.9_1692
XDS data reduction March 1, 2015
XSCALE data scaling March 1, 2015
MOLREP phasing .
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