X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 6.5 296 1.6M (NH3)2SO4, 0.1M MES monohydrate (pH 6.5),10% 1,4-dioxane and 4% benzamidine HCl, 1mM ATP, VAPOR DIFFUSION, HANGING DROP, temperature 296K
Unit Cell:
a: 88.500 Å b: 88.500 Å c: 88.600 Å α: 90.00° β: 90.00° γ: 120.00°
Symmetry:
Space Group: P 65
Crystal Properties:
Matthew's Coefficient: 2.35 Solvent Content: 47.72
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 ? 3.301 44.250 5983 593 99.98 0.2135 0.2754 ?
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
3.3 44.3 99.7 0.116 ? 24.8 11.3 5990 5983 0 -3 ?
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 3.3 3.49 98.3 ? ? 4.7 11.1 952
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 23-ID-B 0.9775 APS 23-ID-B
Software
Software Name Purpose Version
JBluIce-EPICS data collection .
PHENIX model building AutoMR
PHENIX refinement (phenix.refine: 1.7.1_743)
XDS data reduction .
XSCALE data scaling .
PHENIX phasing AutoMR
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