X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 6.5 293.15 30.629% v/v PEG 6000; 0.1 M Tris pH 8; 0.00030367 M Zinc chloride
Unit Cell:
a: 136.092 Å b: 136.092 Å c: 87.172 Å α: 90.00° β: 90.00° γ: 120.00°
Symmetry:
Space Group: P 63
Crystal Properties:
Matthew's Coefficient: 3.31 Solvent Content: 62.86
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 1.96 48.82 59881 2946 91.19 0.2108 0.2552 ?
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
1.93 70.09 99.98 0.164 ? 12.3 39.0 ? 69176 ? ? ?
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 1.93 1.96 98.89 ? ? 0.5 ? ?
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 298 K ?
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
SYNCHROTRON DIAMOND BEAMLINE I03 0.9763 Diamond I03
Software
Software Name Purpose Version
PHENIX refinement (1.20.1_4487: ???)
xia2 data reduction 3.4.2
xia2 data scaling 3.4.2
PHENIX phasing 1.19.2-4158
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