2I2D
Crystal structure of LmNADK1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.933 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 62.481, 75.851, 118.350 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.930 - 2.220 |
| R-factor | 0.208 |
| Rwork | 0.207 |
| R-free | 0.25200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2i2b |
| RMSD bond length | 0.012 |
| RMSD bond angle | 2.257 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.900 | 2.340 |
| High resolution limit [Å] | 2.220 | 2.220 |
| Rmerge | 0.054 | 0.411 |
| Number of reflections | 13383 | |
| <I/σ(I)> | 22.9 | 3.5 |
| Completeness [%] | 96.8 | 81.2 |
| Redundancy | 4.9 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.4 | 0.3 M potassium chloride, 50 mM tri-sodium citrate dihydrate, 15-20% w/v polyethylene glycol 400, pH 5.4, VAPOR DIFFUSION, HANGING DROP |
