X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 295 0.1 M Tris-HCl (pH 8.5) buffer with 0.2 M NaCl and 17 % (w/v) PEG 3350
Unit Cell:
a: 51.980 Å b: 63.680 Å c: 72.430 Å α: 89.875° β: 89.861° γ: 66.610°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 2.55 Solvent Content: 51.78
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 2.24 28.87 39097 1956 95.35 0.2376 0.2939 23.77
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
2.24 28.87 95.35 ? ? 7.99 3.45 ? 39097 ? ? 21.64
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 2.24 2.32 ? ? ? ? ? ?
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 PAL/PLS BEAMLINE 5C (4A) 1.0 PAL/PLS 5C (4A)
Software
Software Name Purpose Version
PHENIX refinement 1.21.2_5419
HKL-2000 data reduction .
XSCALE data scaling .
MOLREP phasing .
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