X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 8.5 298 1.8M ammonium sulphate, 0.1M Tris pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Unit Cell:
a: 123.965 Å b: 123.965 Å c: 95.886 Å α: 90.00° β: 90.00° γ: 120.00°
Symmetry:
Space Group: P 31 2 1
Crystal Properties:
Matthew's Coefficient: 3.69 Solvent Content: 66.69
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 ? 1.699 28.677 93547 4691 99.91 0.1604 0.1828 21.097
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
1.699 28.677 100 0.115 0.115 16.5 10.5 93586 93586 0 0 14.790
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 1.699 1.79 99.3 ? 0.698 3.7 10.3 ?
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 ESRF BEAMLINE ID23-1 1.0723 ESRF ID23-1
Software
Software Name Purpose Version
PHASER phasing .
PHENIX refinement .
PDB_EXTRACT data extraction 3.006
ADSC data collection Quantum
MOSFLM data reduction .
SCALA data scaling .
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