X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.5 290 0.1 M Na HEPES, pH7.5 27 % v/v PEG 600
Unit Cell:
a: 80.833 Å b: 80.761 Å c: 89.099 Å α: 116.97° β: 90.05° γ: 119.94°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 2.72 Solvent Content: 54.81
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 1.85 44.17 136962 6813 96.39 0.1788 0.2092 ?
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 44.17 96.5 0.045 ? 11.5 3.5 ? 137046 ? ? 30.3
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 ? ? ? 1.5 3.6 ?
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 0.97627 Diamond I03
Software
Software Name Purpose Version
PHENIX refinement (1.20.1_4487: ???)
DIALS data reduction .
Aimless data scaling .
PHASER phasing .
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