1UCN
X-ray structure of human nucleoside diphosphate kinase A complexed with ADP at 2 A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-10-11 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.934 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 116.075, 116.075, 91.292 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.950 - 2.000 |
| Rwork | 0.237 |
| R-free | 0.28200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.400 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 6.000 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.051 * | 0.400 * |
| Total number of observations | 1229712 * | |
| Number of reflections | 42683 * | |
| Completeness [%] | 99.8 | 100 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | PEG 8000, ATP, Tris-HCl, MgCl, DTT, HEPES, Calcium acetate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 8 (mg/ml) | |
| 2 | 1 | drop | ATP | 10 (mM) | |
| 3 | 1 | drop | Tris-HCl | 50 (mM) | |
| 4 | 1 | drop | 20 (mM) | ||
| 5 | 1 | drop | dithiothreitol | 1 (mM) | |
| 6 | 1 | drop | HEPES | 100 (mM) | pH7.5 |
| 7 | 1 | drop | calcium acetate | 200 (mM) | |
| 8 | 1 | drop | PEG8000 | 6 (%(w/v)) | |
| 9 | 1 | reservoir | PEG8000 | 12 (%) |
