X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 6.5 ? 7.5 MG PROTEIN/ML MIXED 1:1 WITH A RESERVOIR SOLUTION CONTAINING 1.6 M AMMONIUM SULFATE, 0.04 M MES (PH 6.5) AND 4% DIOXANE
Unit Cell:
a: 84.973 Å b: 84.973 Å c: 164.969 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: P 43 21 2
Crystal Properties:
Matthew's Coefficient: 2.38 Solvent Content: 42.5
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 1.85 19.81 49809 1766 98.6 0.209 0.238 49.66
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
1.85 20.00 98.9 0.04 ? 20.90 5.05 ? 51834 ? -3.0 ?
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 1.85 1.88 100.0 ? 2.20 ?
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 EMBL/DESY, HAMBURG BEAMLINE BW7A ? EMBL/DESY, HAMBURG BW7A
Software
Software Name Purpose Version
MOSFLM data reduction .
SCALA data scaling .
SHELX phasing .
SHARP phasing .
REFMAC refinement 5.2.0019
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