X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 4.6 293 0.14 M Calcium chloride dihydrate, 0.07 M Sodium acetate 4.6, 14 % v/v 2-Propanol, 30 % v/v Glycerol
Unit Cell:
a: 52.340 Å b: 52.340 Å c: 101.770 Å α: 90.000° β: 90.000° γ: 90.000°
Symmetry:
Space Group: P 41
Crystal Properties:
Matthew's Coefficient: 1.99 Solvent Content: 38.08
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 1.60 52.34 36126 3612 99.95 0.1790 0.2001 25.75
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
1.6 52.34 100.0 0.14 ? 13.90 20.8 ? 36129 ? ? ?
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 1.60 1.64 ? ? ? ? ? ?
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 24-ID-E 0.979200 APS 24-ID-E
Software
Software Name Purpose Version
PHENIX refinement 1.21.2_5419
XSCALE data scaling .
XDS data reduction .
PHASER phasing .
PDB_EXTRACT data extraction .
Feedback Form
Name
Email
Institute
Feedback