X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.0 290 10% PEG 20K, 20% PEG 550 MME, 0.1M MOPS pH 7.5, 0.1M HEPES pH 7.5, 20 mM DL-Alanine, 20 mM DL-Glutamic acid, 20 mM Glycine, 20 mM DL-Lysine HCl, 20 mM DL-Serine
Unit Cell:
a: 53.320 Å b: 61.480 Å c: 172.620 Å α: 90.000° β: 90.000° γ: 90.000°
Symmetry:
Space Group: P 21 21 21
Crystal Properties:
Matthew's Coefficient: 2.42 Solvent Content: 49.14
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 THROUGHOUT 2.1900 19.0100 29999 1472 99.9700 0.1868 0.2171 32.6100
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
2.19 45.36 99.97 ? 0.057 18.15 8.8 ? 29999 ? ? ?
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 2.19 2.32 99.97 ? ? 6.14 8.9 ?
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 SOLEIL BEAMLINE PROXIMA 1 0.97934 SOLEIL PROXIMA 1
Software
Software Name Purpose Version
PHASER phasing 2.5.6
BUSTER-TNT refinement 2.10.1
PDB_EXTRACT data extraction 3.15
XDS data reduction .
XDS data scaling .
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