3E3K
Structural characterization of a putative endogenous metal chelator in the periplasmic nickel transporter NikA (butane-1,2,4-tricarboxylate without nickel form)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-3 |
| Synchrotron site | ESRF |
| Beamline | ID14-3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-03-20 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9310 |
| Spacegroup name | P 62 |
| Unit cell lengths | 158.700, 158.700, 134.600 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.450 - 2.800 |
| R-factor | 0.24853 |
| Rwork | 0.245 |
| R-free | 0.32087 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1zlq |
| RMSD bond length | 0.020 |
| RMSD bond angle | 2.182 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 2.900 | |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.053 | 0.348 |
| Number of reflections | 9081 | |
| <I/σ(I)> | 24.9 | 5.3 |
| Completeness [%] | 93.6 | 89.7 |
| Redundancy | 4.9 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.7 | 293 | 1.5M ammonium sulfate, 0.1M sodium acetate, pH4.7, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
