X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 5.6 293 100mM Sodium Citrate, 20% V/V 2-propanol, 20% W/V PEG4000,1mM DTT, 3% V/V Ethylene Glycol, pH 5.6, VAPOR DIFFUSION, temperature 293K
Unit Cell:
a: 97.710 Å b: 97.710 Å c: 293.301 Å α: 90.00° β: 90.00° γ: 120.00°
Symmetry:
Space Group: P 32 2 1
Crystal Properties:
Matthew's Coefficient: 2.84 Solvent Content: 56.68
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 THROUGHOUT 2.69 30.00 40994 2201 93.59 0.20337 0.24546 83.574
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
2.69 30 99.8 ? ? ? ? 43259 43188 2 2 ?
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 2.69 2.84 100 ? ? 2.0 10.6 6623
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 BL17U 1.0090 SSRF BL17U
Software
Software Name Purpose Version
SSRF-script data collection .
PHENIX model building .
REFMAC refinement 5.6.0117
MOSFLM data reduction .
SCALA data scaling .
PHENIX phasing .
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