X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.0 298 Sodium Cacodylate, CaCl2, Spermine tetrahydrochloride, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K
Unit Cell:
a: 65.503 Å b: 24.704 Å c: 36.975 Å α: 90.00° β: 110.01° γ: 90.00°
Symmetry:
Space Group: C 1 2 1
Crystal Properties:
Matthew's Coefficient: 2.45 Solvent Content: 49.84
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 ? 1.5 16.28 7986 852 ? 0.223 0.264 ?
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
1.5 16.28 87.3 0.043 ? ? ? 7988 7988 0.0 0.0 ?
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 1.5 1.55 39.3 ? ? ? ? ?
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 ALS BEAMLINE 5.0.2 1.150 ALS 5.0.2
Software
Software Name Purpose Version
X-PLOR model building Custom Script - Real Space translation/rotation/rigid body/rigid part search
REFMAC refinement 5.0
DENZO data reduction .
SCALEPACK data scaling .
X-PLOR phasing CUSTOM SCRIPT - REAL SPACE TRANSLATION/ROTATION/RIGID BODY/RIGID PART SEARCH
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