X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 6 291 0,1M SPG buffer pH6 + 20% PEG 1500 Cryo: up to 30% of PEG 1500
Unit Cell:
a: 27.452 Å b: 51.919 Å c: 78.945 Å α: 104.583° β: 90.978° γ: 97.546°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 2.11 Solvent Content: 41.72
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 2.00 49.75 27542 1356 97.56 0.1489 0.2198 19.26
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
2.0 49.75 97.56 0.1117 ? 4.58 1.8 ? 27554 ? ? 18.79
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 2.0 2.072 97.06 ? ? 1.79 1.9 ?
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 ESRF BEAMLINE ID30B 0.8731 ESRF ID30B
Software
Software Name Purpose Version
PHENIX refinement 1.19.2_4158
XDS data reduction .
XDS data scaling .
PHASER phasing .
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