X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.3 293 0.1 M HEPES pH 7.3, 0.1 M lithium sulfate, 25% PEG 20,000
Unit Cell:
a: 203.363 Å b: 203.363 Å c: 69.867 Å α: 90.000° β: 90.000° γ: 120.000°
Symmetry:
Space Group: H 3
Crystal Properties:
Matthew's Coefficient: 3.01 Solvent Content: 59.09
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 1.93 29.35 154394 7532 95.32 0.1868 0.2227 35.74
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 29.35 100.0 0.258 ? 5.2 5.4 ? 154394 ? ? 26.13
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 1.97 100.0 ? ? 0.6 5.3 ?
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 293 K ?
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
SYNCHROTRON NSLS-II BEAMLINE 17-ID-2 0.979330 NSLS-II 17-ID-2
Software
Software Name Purpose Version
PHENIX refinement 1.21.2_5419
FAST_DP data reduction .
Aimless data scaling .
MOLREP phasing .
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