4CQK
Crystal structure of ligand-bound NaD1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-03-08 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 79.640, 132.040, 153.010 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.362 - 1.600 |
| R-factor | 0.1563 |
| Rwork | 0.155 |
| R-free | 0.18350 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4aaz |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.651 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.370 | 1.690 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.090 | 0.620 |
| Number of reflections | 105745 | |
| <I/σ(I)> | 11.6 | 2.2 |
| Completeness [%] | 99.7 | 94.7 |
| Redundancy | 6.7 | 5.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 0.2 M AMMONIUM SULFATE, 7 % PEG3350, 32 % MPD, 0.1 M IMIDAZOLE PH 7 |
