4NQR
The crystal structure of a solute-binding protein (N280D mutant) from Anabaena variabilis ATCC 29413 in complex with alanine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-10-30 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97918 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 98.673, 100.742, 150.305 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.367 - 1.090 |
| R-factor | 0.1211 |
| Rwork | 0.120 |
| R-free | 0.13660 |
| Structure solution method | SAD |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.157 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | SHELXD |
| Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.500 | 1.110 |
| High resolution limit [Å] | 1.090 | 1.090 |
| Rmerge | 0.065 | 0.393 |
| Number of reflections | 308484 | |
| <I/σ(I)> | 37 | 4.5 |
| Completeness [%] | 99.9 | 99.6 |
| Redundancy | 5.9 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 289 | 0.2M Sodium Chloride, 0.1M HEPES:NaOH, 25% (w/v) PEG 3350, 10mM Alanine, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
