1B4S
STRUCTURE OF NUCLEOSIDE DIPHOSPHATE KINASE H122G MUTANT
Experimental procedure
| Source type | SYNCHROTRON |
| Source details | LURE BEAMLINE D41A |
| Synchrotron site | LURE |
| Beamline | D41A |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1998-07 |
| Detector | MARRESEARCH |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 70.000, 70.000, 151.770 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 8.000 - 2.500 |
| R-factor | 0.203 |
| Rwork | 0.203 |
| R-free | 0.30500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1kdn |
| RMSD bond length | 0.012 |
| RMSD bond angle | 2.000 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 8.000 | |
| High resolution limit [Å] | 2.500 | 2.500 * |
| Rmerge | 0.083 | 0.300 * |
| Total number of observations | 150824 * | |
| Number of reflections | 15492 * | |
| Completeness [%] | 99.9 | |
| Redundancy | 9.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7.5 | 18 * | pH 7.5 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | PEG400 | 21 (%) | |
| 2 | 1 | drop | 20 (mM) | ||
| 3 | 1 | drop | Tris-HCl | 100 (mM) | |
| 4 | 1 | drop | ATP | 10 (mM) | |
| 5 | 1 | reservoir | PEG400 | 42 (%) |
