1SI6
Crystal structure of cimex nitrophorin complex with CO
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 14-BM-C |
| Synchrotron site | APS |
| Beamline | 14-BM-C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-12-14 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 49.155, 41.566, 65.388 |
| Unit cell angles | 90.00, 95.48, 90.00 |
Refinement procedure
| Resolution | 15.000 - 1.450 |
| R-factor | 0.20551 |
| Rwork | 0.203 |
| R-free | 0.25687 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1ntf |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.795 |
| Data reduction software | XDISPLAYF |
| Data scaling software | d*TREK |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 15.000 | 1.500 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmerge | 0.073 | 0.270 |
| Number of reflections | 44739 | |
| <I/σ(I)> | 10.4 | 1.6 |
| Completeness [%] | 96.7 | 99.9 |
| Redundancy | 3.7 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.6 | 298 | PEG 4000, Li2SO4, ethanol, pH 8.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
