X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 9.0 293.15 0.1 M Tris-HCl (pH 7.0 to 9.0) with 1.25 to 2.0 M ammonium sulfate and 12% (v/v) glycerol
Unit Cell:
a: 88.320 Å b: 55.970 Å c: 53.190 Å α: 90.000° β: 98.910° γ: 90.000°
Symmetry:
Space Group: C 1 2 1
Crystal Properties:
Matthew's Coefficient: 2.02 Solvent Content: 39.26
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 2.08 36.46 15359 2969 98.70 0.1668 0.2290 33.76
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
2.08 47.11 98.8 0.101 ? 13.89 6.9 ? 15371 ? ? 25.21
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 2.08 2.21 ? ? ? 3.64 ? ?
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 AichiSR BEAMLINE BL2S1 0.72 AichiSR BL2S1
Software
Software Name Purpose Version
PHENIX refinement 1.20.1_4487
XDS data reduction .
XSCALE data scaling .
PHASER phasing .
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