X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 289 15% (v/v) 2-propanol, 0.1 M MES monohydrate, pH 6.0, 30% (w/v) PEG monomethyl ether 2000
Unit Cell:
a: 41.443 Å b: 66.743 Å c: 50.504 Å α: 90.000° β: 90.400° γ: 90.000°
Symmetry:
Space Group: P 1 21 1
Crystal Properties:
Matthew's Coefficient: 2.13 Solvent Content: 42.34
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 1.40 41.44 52846 2647 97.06 0.1407 0.1732 19.08
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
1.4 41.44 97.63 ? ? 20.16 6.6 ? 53132 ? ? 13.15
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 1.4 1.45 ? ? ? 3.77 ? ?
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 11C 0.9794 PAL/PLS 11C
Software
Software Name Purpose Version
PHENIX refinement 1.20.1_4487
HKL-2000 data reduction v722
HKL-2000 data scaling v722
PHASER phasing 2.8.3
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