X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 4.6 287 28% peg 2000, 200mM ammonia sulfate, 0.1M Sodium acetate pH 4.6
Unit Cell:
a: 58.955 Å b: 58.980 Å c: 139.690 Å α: 90.03° β: 90.03° γ: 90.05°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 2.45 Solvent Content: 49.85
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 SAD THROUGHOUT 1.670 31.067 204392 10162 93.64 0.2265 0.2567 ?
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
1.67 31.07 93.8 ? ? 1.38 3.3 ? 204553 ? ? 27
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 1.67 1.71 ? ? ? ? ? ?
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 BL19U1 0.987 SSRF BL19U1
Software
Software Name Purpose Version
PHENIX refinement (1.15.2_3472: ???)
HKL-2000 data reduction .
HKL-2000 data scaling .
PHENIX phasing .
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