X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.5 293 0.1 M HEPES pH 7.5, 1.4 M Sodium citrate tribasic dihydrate
Unit Cell:
a: 61.440 Å b: 61.440 Å c: 38.390 Å α: 90.000° β: 90.000° γ: 120.000°
Symmetry:
Space Group: P 3
Crystal Properties:
Matthew's Coefficient: 2.00 Solvent Content: 38.42
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 1.90 38.39 12781 564 99.96 0.2166 0.2301 27.78
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
1.9 38.39 99.95 ? ? 14.83 10.2 ? 12785 ? ? ?
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 1.9 1.968 99.84 ? ? ? ? ?
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 SSRF BEAMLINE BL10U2 0.979 SSRF BL10U2
Software
Software Name Purpose Version
PHENIX refinement 1.15.1_3469
XDS data reduction .
Aimless data scaling .
PHASER phasing .
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