X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 8.4 293 1.5 M Lithium chloride/ 0.1 M BICINE 8.4 10 % w/v PEG 6000 7 mg/ml 0.2 / 0.2 drops
Unit Cell:
a: 101.011 Å b: 101.011 Å c: 276.640 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: P 43 2 2
Crystal Properties:
Matthew's Coefficient: 2.88 Solvent Content: 57.24
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 SAD FREE R-VALUE 2.27 21.87 67191 2096 99.74 0.1980 0.2488 ?
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
2.27 48.53 99.2 ? ? 8.40 14.65 ? 67367 ? ? ?
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 2.27 2.40 98.3 ? ? ? ? ?
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 BESSY BEAMLINE 14.2 0.9184 BESSY 14.2
Software
Software Name Purpose Version
PHENIX refinement ("2.0_5936": ???)
XDS data reduction .
PDB_EXTRACT data extraction .
XDS data scaling .
PHASER phasing .
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