X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 289 10% (v/v) 2-propanol, 0.1 M BICINE, pH 8.5, 28% (w/v) PEG 1000
Unit Cell:
a: 39.563 Å b: 66.483 Å c: 50.114 Å α: 90.000° β: 91.700° γ: 90.000°
Symmetry:
Space Group: P 1 21 1
Crystal Properties:
Matthew's Coefficient: 1.98 Solvent Content: 37.9
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 1.58 40.01 34606 2014 97.69 0.1572 0.1882 17.86
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
1.58 40.01 97.69 ? ? 14.15 4.0 ? 34799 ? ? 12.84
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 1.582 1.639 ? ? ? 3.9 ? ?
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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