X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.4 289 50 mM Tris/HCl pH 7.4 5 mM EDTA 200 mM potassium formate 20% PEG 3350
Unit Cell:
a: 38.360 Å b: 57.529 Å c: 65.521 Å α: 89.04° β: 89.72° γ: 89.28°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 2.16 Solvent Content: 43.02
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 2.25 38.36 22458 1101 84.53 0.1776 0.2401 ?
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
2.2 38.6 84.4 0.183 ? 6.8 5.0 ? 24252 ? ? 37.06
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 2.371 73.22 ? ? ? 2.3 ?
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 DIAMOND BEAMLINE I03 3.3968 Diamond I03
Software
Software Name Purpose Version
PHENIX refinement (1.21.2_5419: ???)
PDB_EXTRACT data extraction .
FAST_DP data reduction .
xia2 data scaling .
MOLREP phasing .
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