1UIU
Crystal structures of the liganded and unliganded nickel binding protein NikA from Escherichia coli (Nickel unliganded form)
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL44B2 |
Synchrotron site | SPring-8 |
Beamline | BL44B2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2003-01-20 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.9793, 0.9797, 0.9824 |
Spacegroup name | P 32 |
Unit cell lengths | 126.869, 126.869, 60.523 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 19.960 - 1.850 |
R-factor | 0.20048 |
Rwork | 0.198 |
R-free | 0.24900 * |
Structure solution method | MAD |
RMSD bond length | 0.023 * |
RMSD bond angle | 2.000 * |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | SOLVE |
Refinement software | REFMAC (5.1.19) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.920 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmerge | 0.045 | 0.384 |
Total number of observations | 206476 * | |
Number of reflections | 81622 | |
<I/σ(I)> | 17.5 | |
Completeness [%] | 91.1 | 78.6 |
Redundancy | 2.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 20 * | PEG4000, 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 | 7.5 (mg/ml) | |
2 | 1 | drop | Tris-Cl | 50 (mM) | pH8.5 |
3 | 1 | reservoir | PEG4000 | 12.5 (%) | |
4 | 1 | reservoir | ammonium sulfate | 0.3 (M) | |
5 | 1 | reservoir | sodium acetate | 50 (mM) | pH5.0 |