X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 6.0 300 12% PEG 5000, 0.1 M Bis-Tris, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 300K
Unit Cell:
a: 58.850 Å b: 104.045 Å c: 109.589 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: I 2 2 2
Crystal Properties:
Matthew's Coefficient: 2.50 Solvent Content: 50.83
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 THROUGHOUT 2.30 75.38 14336 756 98.10 0.19334 0.24502 21.251
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
2.3 75.38 98.2 0.107 ? 7.7 6.4 15100 15100 0 0 32
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 2.3 2.38 88.2 ? ? 2 3.5 1334
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 APS BEAMLINE 17-ID 1.00000 APS 17-ID
Software
Software Name Purpose Version
REFMAC refinement 5.2.0019
CrystalClear data collection (MSC/RIGAKU)
HKL-2000 data reduction .
HKL-2000 data scaling .
MOLREP phasing .
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