3TUV
Crystal structure of insulysin with bound ATP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X4A |
Synchrotron site | NSLS |
Beamline | X4A |
Temperature [K] | 110 |
Detector technology | CCD |
Collection date | 2008-10-27 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.9794 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 114.984, 70.660, 114.060 |
Unit cell angles | 90.00, 92.63, 90.00 |
Refinement procedure
Resolution | 41.880 - 2.270 |
R-factor | 0.21975 |
Rwork | 0.217 |
R-free | 0.26823 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 0.927 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.330 |
High resolution limit [Å] | 2.270 | 2.270 |
Number of reflections | 36467 | |
Completeness [%] | 90.7 | 88.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 295 | 20% PEG 4000, 100 mM sodium citrate 100 mM ammonium acetate, 5 mM ATP, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K |