1XMI
Crystal structure of human F508A NBD1 domain with ATP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Detector technology | CCD |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.9794 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 144.461, 154.022, 136.088 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.200 - 2.250 |
| R-factor | 0.232 |
| Rwork | 0.212 |
| R-free | 0.26500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1r0x |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.997 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 27.524 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.128 | 0.017 |
| Number of reflections | 71899 | |
| <I/σ(I)> | 8.3 | 1.1 |
| Completeness [%] | 99.8 | 99.4 |
| Redundancy | 6.8 | 5.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 277 | PEG 400, glycerol, ethylene glycol, tris, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
