X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.0 291 0.1M Tris-bis, 28%PEGmme2000
Unit Cell:
a: 169.763 Å b: 169.763 Å c: 73.358 Å α: 90.000° β: 90.000° γ: 90.000°
Symmetry:
Space Group: I 4
Crystal Properties:
Matthew's Coefficient: 2.89 Solvent Content: 57.48
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 1.99514175714 37.9601608064 70034 3611 98.4951620162 0.190686019711 0.222503161465 39.4116460131
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
1.995 38.0 99.8 ? ? 12.89 12.8 ? 70138 ? ? 39.18
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 1.995 2.066 ? ? ? ? ? ?
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 SSRF BEAMLINE BL18U1 0.979 SSRF BL18U1
Software
Software Name Purpose Version
HKL-3000 data scaling .
PHENIX phasing .
PHENIX refinement .
HKL-3000 data reduction .
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