1PAE
nucleoside diphosphate kinase
Experimental procedure
| Experimental method | SAD |
| Source type | SYNCHROTRON |
| Source details | LURE BEAMLINE DW32 |
| Synchrotron site | LURE |
| Beamline | DW32 |
| Temperature [K] | 293 |
| Detector technology | IMAGE PLATE |
| Collection date | 2003-03-15 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.9754 |
| Spacegroup name | P 63 2 2 |
| Unit cell lengths | 76.633, 76.633, 106.510 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 25.000 * - 2.700 |
| R-factor | 0.18787 |
| Rwork | 0.182 |
| R-free | 0.23200 * |
| Structure solution method | SAD |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.544 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHARP |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 * | 2.770 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.074 | 0.276 * |
| Total number of observations | 114811 * | |
| Number of reflections | 5418 | |
| <I/σ(I)> | 18.7 | |
| Completeness [%] | 98.4 | 97.4 |
| Redundancy | 23 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 18 * | PEG 6000, magnesium chloride,Tris, 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 | 10 (mg/ml) | |
| 2 | 1 | drop | Tris-HCl | 20 (mM) | p7.5 |
| 3 | 1 | reservoir | PEG6000 | 10 (%(w/v)) | |
| 4 | 1 | reservoir | Tris-HCl | 50 (mM) | pH7.5 |
| 5 | 1 | reservoir | 10 (mM) |
