4GUX
Crystal structure of trypsin:MCoTi-II complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
Synchrotron site | Australian Synchrotron |
Beamline | MX1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-11-01 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.953645 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 136.139, 71.852, 108.460 |
Unit cell angles | 90.00, 119.76, 90.00 |
Refinement procedure
Resolution | 31.690 - 1.803 |
R-factor | 0.1615 |
Rwork | 0.157 |
R-free | 0.19410 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2uuy |
RMSD bond length | 0.006 |
RMSD bond angle | 1.022 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.7_650)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 31.690 | 1.830 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.449 | |
Number of reflections | 82545 | |
Completeness [%] | 99.9 | 97.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 28% PEG3350, 0.24M ammonium acetate, 0.1M BisTris, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |