1UIV
Crystal structures of the liganded and unliganded nickel binding protein NikA from Escherichia coli (Nickel liganded form)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44B2 |
| Synchrotron site | SPring-8 |
| Beamline | BL44B2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-05-20 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 69.720, 192.806, 75.143 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.950 |
| R-factor | 0.2023 |
| Rwork | 0.199 |
| R-free | 0.25500 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.023 |
| RMSD bond angle | 2.100 * |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.1.19) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.020 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.041 | 0.114 |
| Total number of observations | 278267 * | |
| Number of reflections | 66817 | |
| <I/σ(I)> | 16.7 | |
| Completeness [%] | 94.6 | 72.1 |
| Redundancy | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 20 * | PEG2000, ammonium sulfate, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | NikA | 15 (mg/ml) | |
| 2 | 1 | drop | Tris-Cl | 50 (mM) | pH8.5 |
| 3 | 1 | reservoir | PEG2000 | 20 (%) | |
| 4 | 1 | reservoir | ammonium sulfate | 0.3 (M) | |
| 5 | 1 | reservoir | sodium acetate | 100 (mM) | pH5.5 |
