X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 293 0.1M MIB, pH-9.0, 25% PEG 1500
Unit Cell:
a: 43.944 Å b: 44.826 Å c: 85.392 Å α: 76.409° β: 81.305° γ: 64.450°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 2.25 Solvent Content: 45.27
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 3.000 39.614 10578 1011 92.668 ? 0.2851 72.84
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
3.00 39.614 92.7 0.075 ? 4 1.9 ? 10579 ? ? ?
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 3.00 3.18 ? ? ? ? ? ?
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 ESRF BEAMLINE ID23-2 0.87313 ESRF ID23-2
Software
Software Name Purpose Version
REFMAC refinement 5.8.0430
iMOSFLM data reduction .
Aimless data scaling .
PHASER phasing .
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