X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 289 0.2 M Ammonium citrate dibasic 20 % w/v PEG 3350
Unit Cell:
a: 82.477 Å b: 287.076 Å c: 119.174 Å α: 90.000° β: 90.000° γ: 90.000°
Symmetry:
Space Group: C 2 2 21
Crystal Properties:
Matthew's Coefficient: 4.14 Solvent Content: 70.27
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 3.32 31.26 20949 1073 97.91 0.2279 0.2678 107.21
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
3.32 37.61 98.0 ? ? 21.9 13.3 ? 21005 ? ? 87.58
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 3.32 3.44 ? ? ? ? ? ?
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 BL02U1 0.97925 SSRF BL02U1
Software
Software Name Purpose Version
PHENIX refinement 1.21.1_5286
HKL-2000 data reduction .
HKL-2000 data scaling .
PHASER phasing .
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