X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 277.15 20% PEG3350, 10% ethylene glycol, 0.2M sodium nitrate
Unit Cell:
a: 61.788 Å b: 123.329 Å c: 69.589 Å α: 90.000° β: 92.640° γ: 90.000°
Symmetry:
Space Group: P 1 21 1
Crystal Properties:
Matthew's Coefficient: 3.13 Solvent Content: 60.70
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 2.3200 69.5200 42124 2206 98.4600 0.2079 0.2433 57.6300
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
2.320 69.520 98.600 0.136 ? 6.600 5.300 ? 44358 ? ? ?
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 2.320 2.450 98.700 ? ? 2.0 5.300 ?
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 100.0 K ?
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
SYNCHROTRON BESSY BEAMLINE 14.1 0.91840 BESSY 14.1
Software
Software Name Purpose Version
Aimless data scaling 0.5.32
REFMAC refinement 5.8.0158
PDB_EXTRACT data extraction 3.25
MOSFLM data reduction .
PHASER phasing .
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