X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.0 295 Protein Solution: 0.3M NaCl, 10mM HEPES (pH 7.5); Screen Solution: 1M Lithium Sulphate, 0.1M Bis-Tris-Propane HCl (pH 7.0), VAPOR DIFFUSION, HANGING DROP, temperature 295K
Unit Cell:
a: 46.589 Å b: 92.169 Å c: 77.075 Å α: 90.00° β: 92.84° γ: 90.00°
Symmetry:
Space Group: P 1 21 1
Crystal Properties:
Matthew's Coefficient: 2.49 Solvent Content: 50.70
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 2.00 29.54 39714 2079 95.10 0.19246 0.24340 12.370
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
2.0 30.0 95.5 0.096 ? 16.6 5.3 41818 41818 ? -3.0 20.0
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 2.00 2.03 97.8 ? ? 3.7 5.2 2146
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 21-ID-D 0.98011 APS 21-ID-D
Software
Software Name Purpose Version
Blu-Ice data collection Max
MrBUMP phasing .
REFMAC refinement 5.5.0044
HKL-2000 data reduction .
HKL-2000 data scaling .
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