X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 298 20% (w/v) PEG 1000, 100 mM Sodium acetate/acetic acid pH 4.5, 200 mM Zinc acetate
Unit Cell:
a: 61.100 Å b: 61.100 Å c: 132.810 Å α: 90.000° β: 90.000° γ: 120.000°
Symmetry:
Space Group: P 62 2 2
Crystal Properties:
Matthew's Coefficient: 2.50 Solvent Content: 50.84
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 3.00 20.42 3245 162 98.66 0.2201 0.2607 61.50
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
3.00 20.69 99.7 ? ? 16.2 15.9 ? 3312 ? ? 64.35
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 3.0 3.18 100.0 ? ? 4.0 17.4 ?
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
SEALED TUBE RIGAKU PhotonJet-S 1.54184 ? ?
Software
Software Name Purpose Version
PHENIX refinement 1.20.1_4487
CrysalisPro data reduction .
Aimless data scaling .
PHASER phasing .
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