X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 8 294 1.2M ammonium sulphate, 0.5M lithium chloride, pH 8, VAPOR DIFFUSION, SITTING DROP, temperature 294K
Unit Cell:
a: 97.210 Å b: 97.210 Å c: 203.155 Å α: 90.00° β: 90.00° γ: 120.00°
Symmetry:
Space Group: P 31 2 1
Crystal Properties:
Matthew's Coefficient: 3.03 Solvent Content: 59.35
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 MAD THROUGHOUT 2.40 84.21 42011 2231 99.88 0.20361 0.23999 47.562
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
2.249 101.535 99.7 0.093 0.085 12.7 5.3 53512 53443 1 1 47.00
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 2.25 2.36 98.1 ? 0.644 2.4 4.1 7543
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 ID14-4 0.931 ESRF ID14-4
Software
Software Name Purpose Version
DNA data collection .
MOLREP phasing .
REFMAC refinement 5.2.0019
MOSFLM data reduction .
SCALA data scaling .
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