1XMJ
Crystal structure of human deltaF508 human 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 | P 43 21 2 |
| Unit cell lengths | 59.793, 59.793, 144.398 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 26.740 - 2.300 |
| R-factor | 0.248 |
| Rwork | 0.220 |
| R-free | 0.28700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | F508A human NBD1 coordinates |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.265 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 26.726 | 1.990 |
| High resolution limit [Å] | 1.890 | 1.890 |
| Rmerge | 0.121 | 0.015 |
| Number of reflections | 12261 | |
| <I/σ(I)> | 8.8 | 1.6 |
| Completeness [%] | 98.9 | 93.1 |
| Redundancy | 7.4 | 6.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | PEG 4000, glycerol, ethylene glycol, tris, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
