X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 8.0 293 10mg/ml protein, 30%PEG MME, Tris-HCl pH=8.0
Unit Cell:
a: 88.650 Å b: 88.650 Å c: 114.300 Å α: 90.000° β: 90.000° γ: 90.000°
Symmetry:
Space Group: I 41
Crystal Properties:
Matthew's Coefficient: 3.4 Solvent Content: 63.9
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 FREE R-VALUE 2.29 70.03 19047 1003 100 ? 0.3419 16.1473
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
2.29 70.03 100 0.093 ? 18.2 4.0 ? 19883 ? ? ?
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 2.29 2.41 100 ? ? 15.9 4.8 ?
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 ID14-1 0.934 ESRF ID14-1
Software
Software Name Purpose Version
PHENIX refinement .
MOSFLM data collection .
SCALA data scaling .
PHASER phasing .
PDB_EXTRACT data extraction 3.22
SCALA data reduction .
PHASER phasing .
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