X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.5 298 0.12 M NaCl, 18% (w/v) polyethylene glycol 4000 and 0.1 M imidazole pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
Unit Cell:
a: 72.840 Å b: 292.916 Å c: 43.589 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: P 21 21 2
Crystal Properties:
Matthew's Coefficient: 2.41 Solvent Content: 49.04
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 ? 2.5991 48.819 29830 1034 99.88 0.1963 0.2598 ?
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
2.599 48.82 99.9 ? ? ? ? 29907 29907 1.35 1.35 ?
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 2.599 2.71 99.1 ? 0.786 2.2 7.3 3562
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 AUSTRALIAN SYNCHROTRON BEAMLINE MX2 0.96900 Australian Synchrotron MX2
Software
Software Name Purpose Version
ADSC data collection Quantum
Auto-Rickshaw phasing .
PHENIX refinement (phenix.refine: 1.8_1069)
XDS data reduction .
pointless data scaling .
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